SCHEMBL5259144

SCHEMBL5259144

NC(=O)/C(=C/c1c[nH]c2nc(NC(=O)Cc3cccc(N)c3)ccc12)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.39
ROCK1 Q13464 1/20 0.37
ADORA2A P29274 1/20 0.36
CCKBR P32239 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
ROCK2 O75116 2/20 0.34
KMT2A Q03164 3/20 0.33
NPY5R Q15761 1/20 0.33
DEGS1 O15121 1/20 0.33
LMNA P02545 1/20 0.33
CACNA1G O43497 2/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1I Q9P0X4 2/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5259151 1.00 GLS (0.39) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5258934 0.94 GLS (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5258933 0.94 GLS (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5259908 0.92 ADORA2A (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5315071 0.92 ADORA2A (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5259914 0.92 ADORA2A (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5262742 0.91 ROCK1 (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5258945 0.91 ROCK1 (0.40) GLSROCK1ADORA2ACCKBRCCNA2
SCHEMBL5262654 0.90 CACNA1G (0.44) GLSROCK2KMT2ANPY5RCACNA1G
SCHEMBL5262545 0.90 CACNA1G (0.44) GLSROCK2KMT2ANPY5RCACNA1G

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 GLS 3461/4885ROCK1 2305/4885ADORA2A 1105/4885

“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.