SCHEMBL174915

SCHEMBL174915

CN(C(=O)O)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.82
KCNH2 Q12809 1/20 0.82
GUCY1A1 Q02108 14/20 0.57
GUCY1B1 Q02153 14/20 0.57
PDE5A O76074 4/20 0.56

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
SCHEMBL30507540 1.00 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18496418 0.99 ADORA3 (0.81) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Dimethyl Sulfoxide SCHEMBL1931525 0.96 ADORA3 (0.76) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18212216 0.93 ADORA3 (0.82) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Riociguat SCHEMBL245457 0.90 KCNH2 (1.00) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Riociguat SCHEMBL29357210 0.90 KCNH2 (1.00) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Riociguat SCHEMBL29419573 0.90 KCNH2 (1.00) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Riociguat SCHEMBL29379983 0.90 KCNH2 (1.00) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5765138 0.90 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL12593410 0.90 KCNH2 (0.86) 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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211702-A1 METHODS AND MATERIALS FOR GENDER-DEPENDENT TREATMENT OF CARDIOVASCULAR DYSFUNCTION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2022-07-07 US claimed
EP-3952992-A1 METHODS AND MATERIALS FOR GENDER-DEPENDENT TREATMENT OF CARDIOVASCULAR DYSFUNCTION Mayo Foundation for Medical Education and Research (US) 2022-02-16 EP claimed
WO-2020210707-A1 METHODS AND MATERIALS FOR GENDER-DEPENDENT TREATMENT OF CARDIOVASCULAR DYSFUNCTION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2020-10-15 WO 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
US-10568895-B2 Methods and materials for treating calcific aortic valve stenosis MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2020-02-25 US claimed
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 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
EP-3291811-B1 THE USE OF SGC STIMULATORS, SGC ACTIVATORS, ALONE AND COMBINATIONS WITH PDE5 INHIBITORS FOR THE TREATMENT OF DIGITAL ULCERS (DU) CONCOMITANT TO SYSTEMIC SCLEROSIS (SSC) Bayer Pharma AG (DE) 2019-08-07 EP 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-10238669-B2 Methods and materials for treating calcific aortic valve stenosis MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-03-26 US 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
EP-2296661-A1 SGC STIMULATORS, SGC ACTIVATORS AND COMBINATIONS THEREOF FOR THE TREATMENT OF HEARING IMPAIRMENT Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-23 EP claimed
US-20100210643-A1 sGC STIMULATORS, sGC ACTIVATORS AND COMBINATIONS FOR THE TREATMENT OF UROLOGICAL DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 US claimed
WO-2010081647-A2 SGC STIMULATORS OF SGC ACTIVATORS IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF ERECTILE DYSFUNCTION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 WO claimed
WO-2010049078-A1 USE OF HELIUM-OXYGEN GAS MIXTURES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 WO claimed
EP-2144605-A1 sGC STIMULATORS, sGC ACTIVATORS AND COMBINATIONS FOR THE TREATMENT OF UROLOGICAL DISORDERS Bayer HealthCare AG (DE) 2010-01-20 EP claimed
WO-2009138165-A1 SGC STIMULATORS, SGC ACTIVATORS AND COMBINATIONS THEREOF FOR THE TREATMENT OF HEARING IMPAIRMENT BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-19 WO claimed
WO-2008138483-A1 sGC STIMULATORS, sGC ACTIVATORS AND COMBINATIONS FOR THE TREATMENT OF UROLOGICAL DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-11-20 WO claimed
EP-1506193-B1 CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINES BAYER HEALTHCARE AG (DE) 2006-06-21 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-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-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
US-20100210643-A1 sGC STIMULATORS, sGC ACTIVATORS AND COMBINATIONS FOR THE TREATMENT OF UROLOGICAL DISORDERS PDE5A, PDE3B, PDE3A ADORA3 2112/4885KCNH2 2632/4885GUCY1A1 16/4885
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

“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.