SCHEMBL5259051

SCHEMBL5259051

O=C(NCc1ccccc1)Nc1ccc2c(/C=C(/C(=O)O)c3ccccc3)c[nH]c2n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.48
ROCK2 O75116 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.40
ADORA1 P30542 2/20 0.40
MAPK1 P28482 3/20 0.39
AURKB Q96GD4 1/20 0.39
TP53 P04637 1/20 0.38
MET P08581 1/20 0.38
ROCK1 Q13464 1/20 0.37

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
SCHEMBL5259054 1.00 ADORA2A (0.48) ADORA2AROCK2KDM4EGSK3BADORA1
SCHEMBL5257984 0.92 ADORA2A (0.47) ADORA2AROCK2KDM4EGSK3BADORA1
SCHEMBL5257987 0.92 ADORA2A (0.47) ADORA2AROCK2KDM4EGSK3BADORA1
SCHEMBL5259880 0.87 ADORA2A (0.42) ADORA2AADORA1MAPK1
SCHEMBL5260735 0.87 ADORA2A (0.42) ADORA2AADORA1MAPK1
SCHEMBL5261663 0.85 DEGS1 (0.41) ADORA2AROCK2MAPK1ROCK1
SCHEMBL5261657 0.85 DEGS1 (0.41) ADORA2AROCK2MAPK1ROCK1
SCHEMBL5263630 0.85 KMT2A (0.44) ADORA2AKDM4EGSK3BADORA1MAPK1
SCHEMBL5263036 0.85 ADORA2A (0.38) ADORA2AADORA1
SCHEMBL5263038 0.85 ADORA2A (0.38) ADORA2AADORA1

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
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP claimed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US claimed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 US claimed
EP-1309590-B1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-09-19 EP disclosed
US-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA & UPJOHN (IT) 2003-01-02 US disclosed
US-6486322-B1 Azaindole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2002-11-26 US disclosed
US-6335342-B1 1H-PYRROLO(2,3-B)PYRIDINE DERIVATIVES; ANTICARCINOGENIC, ANTIMETASTASIS, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-01-01 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 (1 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-20030004350-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS FFAR4, AZI2, CNKSR1 ADORA2A 1105/4885ROCK2 1932/4885KDM4E 450/4885

“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.