SCHEMBL1931369

SCHEMBL1931369

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1/N=N/c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.59
KCNH2 Q12809 1/20 0.59
GUCY1A1 Q02108 9/20 0.54
GUCY1B1 Q02153 9/20 0.54
PDE5A O76074 9/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1931373 1.00 ADORA3 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL30674492 1.00 ADORA3 (0.59) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5775639 0.94 ADORA3 (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5775654 0.94 ADORA3 (0.57) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL16117653 0.89 ADORA3 (0.60) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL174889 0.87 PDE5A (0.55) GUCY1A1GUCY1B1PDE5A
SCHEMBL428374 0.87 PDE5A (0.55) GUCY1A1GUCY1B1PDE5A
SCHEMBL29859571 0.87 PDE5A (0.55) GUCY1A1GUCY1B1PDE5A
SCHEMBL23161927 0.86 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL23161929 0.86 ADORA3 (0.43) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284186-A1 PROCESS FOR PREPARING METHYL{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND ADVERIO PHARMA GMBH (DE) 2019-09-19 US claimed
US-10351562-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound ADVERIO PHARMA GMBH (DE) 2019-07-16 US claimed
US-20180282329-A1 PROCESS FOR PREPARING METHYL {4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND ADVERIO PHARMA GMBH (DE) 2018-10-04 US claimed
US-10030014-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound ADVERIO PHARMA GMBH (DE) 2018-07-24 US claimed
WO-2018096550-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]-5-PYRIMIDINYL(METHYL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-31 WO claimed
WO-2017025981-A1 PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[L-(2-FHIOROBENZVR)-LH-PYRAZOLO I3,4-BLPVRIDIN-3-VN-5-PYRIMIDINYL(METHVL)CARBAMATE AND ITS POLYMORPHS THEREOF MSN LABORATORIES PRIVATE LIMITED (IN) 2017-02-16 WO claimed
CN-105461715-A Method for compounding riociguat intermediate ZHENGZHOU DAMING DRUG SCIENCE & TECH CO LTD 2016-04-06 CN claimed
EP-2604608-B1 Method for producing methyl- {4,6-diamino-2-[1-(2-fluorobenzyl) -1H-pyrazolo[3,4-b]pyridin-3-yl]-pyrimidin-5-yl}-methyl carbamate and its purification for its use as a pharmaceutical agent ADVERIO PHARMA GMBH (DE) 2015-10-07 EP claimed
US-20140288303-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-09-25 US claimed
CN-104059064-A Method For Producing Methyl-{4,6-diamino-2-[1-(2-fluorobenzyl)-1h-pyrazolo[3,4-b]pyridino-3-yl]pyrimidino-5-yl}methyl Carbamate BAYER IP GMBH 2014-09-24 CN claimed
US-20130310563-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-21 US claimed
EP-2604608-A2 Method for producing methyl- {4,6-diamino-2-[1-(2-fluorobenzyl) -1H-pyrazolo[3,4-b]pyridin-3-yl]-pyrimidin-5-yl}-methyl carbamate and its purification for its use as a pharmaceutical agent Bayer Intellectual Property GmbH (DE) 2013-06-19 EP claimed
EP-2504335-A2 METHOD FOR PRODUCING METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINO-3-YL]PYRIMIDINO-5-YL} CARBAMATE AND ITS PURIFICATION FOR USE THEREOF AS PHARMACEUTICAL SUBSTANCE Bayer Intellectual Property GmbH (DE) 2012-10-03 EP claimed
EP-2504334-A2 METHOD FOR PRODUCING METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINO-3-YL]PYRIMIDINO-5-YL}METHYL CARBAMATE AND ITS PURIFICATION FOR USE THEREOF AS PHARMACEUTICAL SUBSTANCE Bayer Intellectual Property GmbH (DE) 2012-10-03 EP claimed
WO-2011064171-A2 METHOD FOR PRODUCING METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINO-3-YL]PYRIMIDINO-5-YL}METHYL CARBAMATE AND ITS PURIFICATION FOR USE THEREOF AS PHARMACEUTICAL SUBSTANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO claimed
WO-2011064156-A2 METHOD FOR PRODUCING METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINO-3-YL]PYRIMIDINO-5-YL} CARBAMATE AND ITS PURIFICATION FOR USE THEREOF AS PHARMACEUTICAL SUBSTANCE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-03 WO claimed
US-20110130411-A1 PROCESS FOR PREPARING METHYL CARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US claimed
US-20110130410-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US claimed
EP-1506193-B9 CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINES ADVERIO PHARMA GMBH (DE) 2026-02-18 EP disclosed
WO-2001083490-A1 SUBSTITUTED PYRAZOLE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110130410-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AMD1, TPMT, MMAB ADORA3 1317/4885KCNH2 748/4885GUCY1A1 1234/4885
US-20180282329-A1 PROCESS FOR PREPARING METHYL {4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND TPMT, AMD1, DPYD ADORA3 1331/4885KCNH2 595/4885GUCY1A1 1723/4885
US-20110130411-A1 PROCESS FOR PREPARING METHYL CARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AZI2, TPMT, KDM5B ADORA3 2401/4885KCNH2 694/4885GUCY1A1 328/4885
US-10351562-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-B]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound TPMT, AMD1, DPYD ADORA3 1267/4885KCNH2 561/4885GUCY1A1 1683/4885
US-10030014-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate and its purification for use as pharmaceutically active compound TPMT, AMD1, DPYD ADORA3 1267/4885KCNH2 561/4885GUCY1A1 1683/4885
US-20190284186-A1 PROCESS FOR PREPARING METHYL{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND TPMT, AMD1, DPYD ADORA3 1267/4885KCNH2 561/4885GUCY1A1 1683/4885
US-20130310563-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AMD1, TPMT, MMAB ADORA3 1317/4885KCNH2 748/4885GUCY1A1 1234/4885
US-20140288303-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AMD1, TPMT, MMAB ADORA3 1317/4885KCNH2 748/4885GUCY1A1 1234/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.