SCHEMBL2009564

SCHEMBL2009564

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.68
KCNH2 Q12809 1/20 0.68
GUCY1A1 Q02108 13/20 0.57
GUCY1B1 Q02153 13/20 0.57
PDE5A O76074 5/20 0.55

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 SCHEMBL15152548 0.96 ADORA3 (0.66) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Dimethylformamide SCHEMBL18988793 0.93 ADORA3 (0.68) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL18212217 0.92 ADORA3 (0.70) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Formic Acid SCHEMBL15732782 0.92 ADORA3 (0.63) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL29379641 0.90 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL248358 0.90 ADORA3 (0.73) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL5472954 0.89 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL12630446 0.89 ADORA3 (0.67) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
Hydrochloric Acid SCHEMBL28612648 0.89 ADORA3 (0.72) ADORA3KCNH2GUCY1A1GUCY1B1PDE5A
SCHEMBL15732812 0.89 ADORA3 (0.64) 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2387404-B1 Sgc stimulators and activators in combination with pde5 inhbitors for the treatment of erectile dysfunction BAYER IP GMBH (DE) 2014-06-25 EP claimed
EP-2504335-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}-carbamate BAYER IP GMBH (DE) 2013-09-04 EP claimed
US-8501945-B2 Process for preparing methyl {4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate and its purification for use as pharmaceutically active compound BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-06 US claimed
US-20120316183-A1 NOVEL SOLVATES OF METHYLCARBAMATE Bayer Intellecutal Property GmbH (DE) 2012-12-13 US claimed
EP-2531187-A1 sGC STIMULATORS OR sGC ACTIVATORS ALONE AND IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS Bayer Intellectual Property GmbH (DE) 2012-12-12 EP claimed
US-8304406-B2 Compounds for treating pulmonary hypertension BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-06 US 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-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-05-06 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 disclosed
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 disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2010173-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION Bayer HealthCare AG (DE) 2009-01-07 EP disclosed
WO-2007118602-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION BAYER HEALTHCARE AG (DE) 2007-10-25 WO disclosed
CN-1330649-C Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2007-08-08 CN disclosed
CN-1665811-A Carbamate-substituted pyrazolopyridines BAYER AG (DE) 2005-09-07 CN 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-20120316183-A1 NOVEL SOLVATES OF METHYLCARBAMATE KDM2B, ADH5, ADH1C ADORA3 3527/4885KCNH2 794/4885GUCY1A1 2692/4885
US-20100113452-A1 COMPOUNDS FOR TREATING PULMONARY HYPERTENSION PTGIR, PTGIS, EDNRB ADORA3 128/4885KCNH2 265/4885GUCY1A1 361/4885

“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.