SCHEMBL174772

SCHEMBL174772

CN(Cc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ GUCY1A1 Q02108 13/20 0.56
▸ GUCY1B1 Q02153 13/20 0.56
▸ PDE5A O76074 5/20 0.53

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
Dimethyl Sulfoxide SCHEMBL1931548 0.96 ADORA3 (0.64) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL175324 0.91 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL427258 0.88 GUCY1A1 (0.56) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL30507540 0.88 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL174915 0.88 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18496418 0.87 ADORA3 (0.81) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5765138 0.85 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL175323 0.84 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL16106158 0.84 ADORA3 (0.66) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL31542103 0.84 ADORA3 (0.66) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3699180-A1 METHOD FOR THE PREPARATION OF 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 PHARMACEUTICAL SUBSTANCE Adverio Pharma GmbH (DE) 2020-08-26 — — EP claimed
EP-2958914-B1 FORMS OF METHYL {4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINO-3-YL]PYRIMIDINO-5-YL}METHYL CARBAMATE ADVERIO PHARMA GMBH (DE) 2020-07-15 — — EP claimed
EP-3415515-A1 METHOD FOR THE PREPARATION OF METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE Adverio Pharma GmbH (DE) 2018-12-19 — — EP 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
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
EP-2504334-B1 PROCESS FOR THE PURIFICATION OF METHYL-{4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL]PYRIMIDIN-5-YL}METHYLCARBAMATE BAYER IP GMBH (DE) 2014-10-01 — — EP claimed
EP-2733142-A2 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 Bayer Intellectual Property GmbH (DE) 2014-05-21 — — EP 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-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
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-3699180-A1 METHOD FOR THE PREPARATION OF 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 PHARMACEUTICAL SUBSTANCE Adverio Pharma GmbH (DE) 2020-08-26 — — EP disclosed
EP-3699180-A1 METHOD FOR THE PREPARATION OF 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 PHARMACEUTICAL SUBSTANCE Adverio Pharma GmbH (DE) 2020-08-26 — — EP disclosed
EP-3699180-A1 METHOD FOR THE PREPARATION OF 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 PHARMACEUTICAL SUBSTANCE Adverio Pharma GmbH (DE) 2020-08-26 — — EP disclosed
US-10570130-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) 2020-02-25 — — US disclosed
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 disclosed
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 disclosed
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 disclosed
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 disclosed
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 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 (2 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-10570130-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

“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.

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