SCHEMBL174847

SCHEMBL174847

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.67
KCNH2 Q12809 1/20 0.67
PDE5A O76074 11/20 0.58
GUCY1A1 Q02108 7/20 0.57
GUCY1B1 Q02153 7/20 0.57

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
Hydrochloric Acid SCHEMBL18496411 0.99 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL1930775 0.99 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5776111 0.93 ADORA3 (0.62) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL5778247 0.93 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174678 0.93 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175433 0.91 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL29154434 0.91 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL256537 0.90 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175568 0.90 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15127590 0.90 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229282-A Riocigua synthesis process 安徽美诺华药物化学有限公司 2023-12-15 CN claimed
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
EP-2733142-B1 Process for the preparation of methyl-{4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}methylcarbamate for use as pharmaceutically active ingredient ADVERIO PHARMA GMBH (DE) 2018-08-01 EP 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-105294686-A Preparation method of riociguat ZHENGZHOU DAMING DRUG SCIENCE & TECHNOLOGY CO LTD 2016-02-03 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-8853398-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 BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-07 US 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
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
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
CN-1330649-C Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2007-08-08 CN claimed
CN-112794848-B N-ring-aminopyrimidine derivatives and use thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
CN-1665811-A Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2005-09-07 CN disclosed
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-08 US 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 (9 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 748/4885PDE5A 1596/4885
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 595/4885PDE5A 1296/4885
US-20110130411-A1 PROCESS FOR PREPARING METHYL CARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AZI2, TPMT, KDM5B ADORA3 2401/4885KCNH2 694/4885PDE5A 211/4885
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 561/4885PDE5A 1089/4885
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives GUCY1A2, GUCY1A1, GUCY1B2 ADORA3 318/4885KCNH2 325/4885PDE5A 7/4885
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 561/4885PDE5A 1089/4885
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 561/4885PDE5A 1089/4885
US-20130310563-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AMD1, TPMT, MMAB ADORA3 1317/4885KCNH2 748/4885PDE5A 1596/4885
US-20140288303-A1 PROCESS FOR PREPARING METHYL METHYLCARBAMATE AND ITS PURIFICATION FOR USE AS PHARMACEUTICALLY ACTIVE COMPOUND AMD1, TPMT, MMAB ADORA3 1317/4885KCNH2 748/4885PDE5A 1596/4885

“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.