SCHEMBL1140522

SCHEMBL1140522

Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(CC(C)C)cc4)CC3)nc2)cc1-c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.54
DDR2 Q16832 1/20 0.49
FASN P49327 4/20 0.47
PPARG P37231 2/20 0.46
ABL1 P00519 2/20 0.46
CXCR3 P49682 1/20 0.46
LCK P06239 3/20 0.45
CSF1R P07333 3/20 0.45
MAPK14 Q16539 2/20 0.45
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
ERBB4 Q15303 1/20 0.45
KIT P10721 1/20 0.44
RET P07949 1/20 0.44
PRKAA2 P54646 2/20 0.43
EP300 Q09472 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL1140359 0.95 DDR2 (0.53) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140453 0.91 DDR2 (0.49) DDR2FASNPPARGABL1CXCR3
SCHEMBL6364860 0.90 DDR2 (0.49) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140747 0.90 MAPK14 (0.51) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140736 0.90 PANK3 (0.50) PANK3DDR2FASNPPARGABL1
SCHEMBL6341049 0.89 DDR2 (0.48) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140394 0.88 GPR6 (0.47) DDR2FASNPPARGABL1CXCR3
SCHEMBL1140297 0.88 FASN (0.49) DDR2FASNPPARGABL1MAPK14
SCHEMBL6343772 0.88 DDR2 (0.49) PANK3DDR2ABL1LCKCSF1R
SCHEMBL1229935 0.88 MAPK14 (0.50) DDR2FASNPPARGMAPK14RET

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 15 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-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
EP-2363393-A1 Compounds and compositions as hedgehog pathway modulators IRM LLC (BM) 2011-09-07 EP 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-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 PANK3 869/4885DDR2 1123/4885FASN 628/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 PANK3 4134/4885DDR2 1167/4885FASN 3081/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PANK3 2624/4885DDR2 704/4885FASN 2368/4885
US-20110039850-A1 Leukemia Treatment ABL1, MCL1, BCR PANK3 3550/4885DDR2 633/4885FASN 4435/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PANK3 2624/4885DDR2 704/4885FASN 2368/4885

“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.