SCHEMBL174830

SCHEMBL174830

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1O

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.63
KCNH2 Q12809 1/20 0.63
PDE5A O76074 9/20 0.59
BUB1 O43683 3/20 0.55
GUCY1A1 Q02108 6/20 0.53
GUCY1B1 Q02153 6/20 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
SCHEMBL174189 0.91 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175433 0.89 ADORA3 (0.68) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL27557251 0.89 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL7835258 0.89 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL14843837 0.87 BUB1 (0.67) BUB1
SCHEMBL175343 0.87 ADORA3 (0.63) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL16244821 0.87 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL175547 0.87 ADORA3 (0.63) ADORA3KCNH2PDE5ABUB1GUCY1A1
SCHEMBL174847 0.87 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL18212218 0.87 ADORA3 (0.58) 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611802-B1 BICYCLIC AZA-HETEROCYCLES AND THEIR USE BAYER IP GMBH (DE) 2016-02-24 EP 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-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
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-29 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
WO-2012028647-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 WO disclosed
US-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed
US-6919345-B2 Sulfonate substituted pyrazol pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
EP-1339717-B1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-02-09 EP disclosed
EP-1390365-B1 NOVEL SULFONATE SUBSTITUTED PYRAZOL PYRIDINE DERVIVATIVES BAYER HEALTHCARE AG (DE) 2005-02-02 EP disclosed
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-09-02 US disclosed
US-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1390365-A1 NOVEL SULFONATE SUBSTITUTED PYRAZOL PYRIDINE DERVIVATIVES Bayer HealthCare AG (DE) 2004-02-25 EP disclosed
EP-1339717-A1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
WO-2002092596-A1 NOVEL SULFONATE SUBSTITUTED PYRAZOL PYRIDINE DERVIVATIVES BAYER HEALTHCARE AG (DE) 2002-11-21 WO disclosed
WO-2002042300-A1 NOVEL CARBAMATE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-30 WO 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 (4 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-20050245553-A1 Methods of treating medical conditions using sulfonate-substituted pyrazolopyridine derivatives PTGER3, TBXA2R, STS ADORA3 444/4885KCNH2 346/4885PDE5A 1429/4885
US-20140148433-A1 BICYCLIC AZA HETEROCYCLES, AND USE THEREOF AADAC, PAICS, TPMT ADORA3 814/4885KCNH2 1555/4885PDE5A 152/4885
US-20040082596-A1 Novel carbamate-substituted pyrazolopyridine derivatives GPR3, NOS3, NPR3 ADORA3 160/4885KCNH2 200/4885PDE5A 28/4885
US-20040171832-A1 Novel sulfonate substituted pyrazol pyridine derivatives NOS3, PDE3A, GPR3 ADORA3 112/4885KCNH2 605/4885PDE5A 12/4885

“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.