SCHEMBL1140271

SCHEMBL1140271

Cc1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccncc4)CC3)nc2)cc1-c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.49
MAPK14 Q16539 3/20 0.48
LCK P06239 2/20 0.48
CSF1R P07333 2/20 0.48
EGFR P00533 1/20 0.48
KDR P35968 1/20 0.48
ERBB4 Q15303 1/20 0.48
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
DYRK1A Q13627 1/20 0.47
DDR2 Q16832 1/20 0.47
PPARG P37231 1/20 0.46
WNT1 P04628 1/20 0.46
RAF1 P04049 1/20 0.44
HSPB1 P04792 1/20 0.44
LYN P07948 1/20 0.44
ABL1 P00519 1/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CXCR3 P49682 1/20 0.43

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
SCHEMBL1140747 0.97 MAPK14 (0.51) FASNMAPK14LCKCSF1REGFR
SCHEMBL1140297 0.93 FASN (0.49) FASNMAPK14CLK2CLK3DYRK1A
SCHEMBL1140359 0.92 DDR2 (0.53) FASNMAPK14LCKCSF1REGFR
SCHEMBL1231470 0.92 HIF1A (0.48) FASNMAPK14LCKCSF1REGFR
SCHEMBL1140453 0.90 DDR2 (0.49) FASNMAPK14LCKCSF1REGFR
SCHEMBL1229866 0.89 FASN (0.47) FASNMAPK14LCKCSF1REGFR
SCHEMBL1140356 0.89 FASN (0.48) FASNMAPK14RAF1HSPB1LYN
SCHEMBL1140351 0.89 HIF1A (0.51) FASNMAPK14LCKCSF1REGFR
SCHEMBL6364860 0.88 DDR2 (0.49) FASNMAPK14LCKCSF1REGFR
SCHEMBL16986682 0.88 CLK2 (0.42) FASNMAPK14LCKCSF1REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-A1 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2011-09-07 EP claimed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
US-8507471-B2 Biphenylcarboxamide derivatives as hedgehod pathway modulators IRM LLC (BM) 2013-08-13 US disclosed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US disclosed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
US-8178563-B2 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2012-05-15 US disclosed
EP-2363393-A1 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2011-09-07 EP disclosed
US-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2011-07-28 US disclosed
EP-2346499-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2011-07-27 EP disclosed
WO-2011062939-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES NOVARTIS AG (CH) 2011-05-26 WO disclosed
US-20110039850-A1 Leukemia Treatment THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-02-17 US disclosed
WO-2011019798-A1 METHODS AND COMPOSITIONS FOR TREATING LEUKEMIA NOVARTIS AG (CH) 2011-02-17 WO disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 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 (5 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-20110183962-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO FASN 628/4885MAPK14 1199/4885LCK 3387/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 FASN 3081/4885MAPK14 2353/4885LCK 3497/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO FASN 2368/4885MAPK14 1601/4885LCK 2866/4885
US-20110039850-A1 Leukemia Treatment ABL1, MCL1, BCR FASN 4435/4885MAPK14 271/4885LCK 209/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO FASN 2368/4885MAPK14 1601/4885LCK 2866/4885

“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.