SCHEMBL2344815

SCHEMBL2344815

COc1cccc(C2=C(c3cc4c5c(ccn5CCC4)c3)C(=O)NC2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.44
PRKCA P17252 4/20 0.44
WDR5 P61964 1/20 0.43
STK10 O94804 3/20 0.41
SLK Q9H2G2 3/20 0.41
BRD4 O60885 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SCN2A Q99250 1/20 0.39
ALOX5 P09917 1/20 0.38
ROCK2 O75116 1/20 0.37
FGFR1 P11362 1/20 0.37
MAP3K5 Q99683 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
SCHEMBL2340785 0.79 GSK3B (0.47) GSK3BPRKCASTK10SLKTMEM97
SCHEMBL2340281 0.77 GSK3B (0.43) GSK3BPRKCASTK10SLK
SCHEMBL1395700 0.77 GSK3B (0.58) GSK3BPRKCA
SCHEMBL2345991 0.75 DDB1 (0.42) WDR5ALOX5MAP3K5
SCHEMBL13241018 0.75 DDB1 (0.42) WDR5ALOX5MAP3K5
SCHEMBL2349161 0.74 PRKCA (0.51) GSK3BPRKCASLK
SCHEMBL5367096 0.73 DRD1 (0.41) WDR5
SCHEMBL4789169 0.70 GSK3B (0.62) GSK3BPRKCASTK10SLK
SCHEMBL2349685 0.70 KDR (0.51) GSK3BPRKCA
SCHEMBL3669622 0.67 GSK3B (0.60) GSK3BPRKCASTK10SLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
US-8513292-B2 Compositions and methods for the treatment of cancer ARQULE, INC. (US) 2013-08-20 US disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2392574-A1 Indolyl pyrrolidines for the treatment of cancer ArQule, Inc. (US) 2011-12-07 EP disclosed
EP-2173748-B1 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE INC (US) 2011-08-31 EP disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
US-20100183603-A1 Compositions and Methods for the Treatment of Cancer ARQULE, INC. (US) 2010-07-22 US disclosed
EP-2173748-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ArQule, Inc. (US) 2010-04-14 EP disclosed
WO-2009002807-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 WO disclosed
WO-2009002807-A2 INDOLYL PYRROLIDINES FOR THE TREATMENT OF CANCER ARQULE, INC. (US) 2008-12-31 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-20100183603-A1 Compositions and Methods for the Treatment of Cancer MKI67, POLI, DHPS GSK3B 1887/4885PRKCA 881/4885WDR5 2091/4885

“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.