SCHEMBL174160

SCHEMBL174160

O=C(O)c1nn(Cc2ccccc2F)c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ADORA3 P0DMS8 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE5A O76074 9/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PKM P14618 1/20 0.46
GUCY1A1 Q02108 2/20 0.45
GUCY1B1 Q02153 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL175370 0.89 ATM (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL4929205 0.89 ATM (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL4937101 0.89 ATM (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL2878097 0.87 ADORA3 (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL173832 0.87 ATM (0.51) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL255820 0.84 ADORA3 (0.50) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL2883538 0.84 PDE5A (0.53) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL19126595 0.84 ADORA3 (0.49) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL19126771 0.84 ADORA3 (0.51) ATMADORA3KCNH2PDE5AMAPT
SCHEMBL18672347 0.83 PDE5A (0.51) PDE5AKMT2AMEN1GUCY1A1GUCY1B1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017121693-A1 SUBSTITUTED THIAZOLE AND THIADIAZOLE AMIDES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
WO-2017121700-A1 1,3-DISUBSTITUTED 1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
WO-2017121700-A1 1,3-DISUBSTITUTED 1H-PYRAZOLO[3,4-B]PYRIDINE DERIVATIVES AND USE THEREOF AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-20 WO disclosed
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP disclosed
US-9096592-B2 Bicyclic aza heterocycles, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 US disclosed
EP-2611802-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-10 EP disclosed
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses BAYER HEALTHCARE AG (DE) 2010-01-07 US disclosed
EP-2013205-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES Bayer HealthCare AG (DE) 2009-01-14 EP disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
WO-2007124854-A1 HETEROCYCLIC SUBSTITUTED, ANELLATED PYRAZOLE DERIVATIVE AND ITS USES BAYER HEALTHCARE AG (DE) 2007-11-08 WO disclosed
US-6451805-B1 Substituted pyrazole derivatives for the treatment of cardiocirculatory diseases BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 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-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT ATM 3549/4885ADORA3 814/4885KCNH2 1555/4885
US-20100004235-A1 Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses AADAC, CYP11B2, PC ATM 1031/4885ADORA3 492/4885KCNH2 2269/4885

“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.