SCHEMBL3979956

SCHEMBL3979956

Cc1ccc(F)cc1-n1nc(C)c(-c2ccccc2)c1Nc1cnccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 15/20 0.58
ADORA3 P0DMS8 1/20 0.47
KDM4C Q9H3R0 5/20 0.46
KDM5A P29375 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
ADORA2B P29275 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
SCHEMBL5012017 0.82 ADORA1 (0.68) ADORA1ADORA3ADORA2B
SCHEMBL5008331 0.74 ADORA1 (0.72) ADORA1ADORA3ADORA2B
SCHEMBL5096079 0.73 ADORA1 (0.69) ADORA1ADORA3ADORA2B
SCHEMBL1814090 0.73 ADORA1 (0.84) ADORA1ADORA3ADORA2B
SCHEMBL5090472 0.73 ADORA1 (0.70) ADORA1ADORA3ADORA2B
SCHEMBL1812677 0.72 ADORA1 (0.81) ADORA1ADORA3ADORA2B
SCHEMBL27170882 0.72 KDM4C (0.56) KDM4CKDM5AKDM5B
SCHEMBL3302606 0.71 ADORA1 (0.86) ADORA1ADORA3ADORA2B
SCHEMBL3305510 0.71 ADORA1 (0.86) ADORA1ADORA3ADORA2B
SCHEMBL15804263 0.71 CYP1A2 (0.45) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-20 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517878-B2 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARAMCEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes BAYER PHARMACEUTICALS CORPORATION (US) 2005-09-01 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-20050192294-A1 Heteroarylaminopyrazole derivatives useful for the treatment of diabetes GPR119, GOT2, IAPP ADORA1 1582/4885ADORA3 517/4885KDM4C 3846/4885
US-20090209451-A1 HETEROARYLAMINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES GPR119, GOT2, IAPP ADORA1 1582/4885ADORA3 517/4885KDM4C 3846/4885

“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.