SCHEMBL174189

SCHEMBL174189

Nc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.61
KCNH2 Q12809 1/20 0.61
PDE5A O76074 14/20 0.60
GUCY1A1 Q02108 4/20 0.51
GUCY1B1 Q02153 4/20 0.51

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
SCHEMBL174830 0.91 ADORA3 (0.63) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL7835258 0.90 ADORA3 (0.65) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL27557251 0.90 ADORA3 (0.60) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174847 0.88 ADORA3 (0.67) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL18212218 0.88 ADORA3 (0.58) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL20682623 0.87 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL4939648 0.87 ADORA3 (0.64) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL18496411 0.87 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL1930775 0.87 ADORA3 (0.66) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL174909 0.86 PDE5A (0.55) 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 8 patents. 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
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
EP-1339714-B1 NOVEL SULFONAMIDE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2006-10-18 EP disclosed
US-7115599-B2 Sulfonamide-substituted pyrazolopyridine compounds BAYER AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-08 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 ADORA3 814/4885KCNH2 1555/4885PDE5A 152/4885
US-20040067937-A1 Novel sulfonamide-substituted pyrazolopyridine derivatives GUCY1A2, GUCY1A1, GUCY1B2 ADORA3 318/4885KCNH2 325/4885PDE5A 7/4885

“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.