SCHEMBL5262545

SCHEMBL5262545

NC(=O)C(=Cc1c[nH]c2nc(NC(=O)Cc3cccc(Cl)c3)ccc12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1C Q13936 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
KDM4E B2RXH2 1/20 0.40
CSNK1D P48730 5/20 0.40
KCNQ2 O43526 3/20 0.39
MAPK8 P45983 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
GLS O94925 1/20 0.39
ROCK2 O75116 1/20 0.39
NPY5R Q15761 2/20 0.39
MAPK9 P45984 1/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
GSK3A P49840 1/20 0.37
MAPK10 P53779 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL5262654 1.00 CACNA1G (0.44) CACNA1GCACNA1HCACNA1CCACNA1IKDM4E
SCHEMBL5260596 0.93 CACNA1G (0.46) CACNA1GCACNA1HCACNA1CCACNA1IKDM4E
SCHEMBL5260593 0.93 CACNA1G (0.46) CACNA1GCACNA1HCACNA1CCACNA1IKDM4E
SCHEMBL5259908 0.91 ADORA2A (0.40) CACNA1GCACNA1IGLSROCK2NPY5R
SCHEMBL5259914 0.91 ADORA2A (0.40) CACNA1GCACNA1IGLSROCK2NPY5R
SCHEMBL5315071 0.91 ADORA2A (0.40) CACNA1GCACNA1IGLSROCK2NPY5R
SCHEMBL5258945 0.90 ROCK1 (0.40) GLSROCK2NPY5R
SCHEMBL5259151 0.90 GLS (0.39) CACNA1GCACNA1HCACNA1CCACNA1IGLS
SCHEMBL5262742 0.90 ROCK1 (0.40) GLSROCK2NPY5R
SCHEMBL5259144 0.90 GLS (0.39) CACNA1GCACNA1HCACNA1CCACNA1IGLS

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 9 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
EP-1309590-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2003-05-14 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
WO-2001098299-A1 AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 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 (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 CACNA1G 3394/4885CACNA1H 2859/4885CACNA1C 3056/4885

“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.