SCHEMBL1229935

SCHEMBL1229935

Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(C#N)c4)CC3)nc2)cc1-c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
DDR2 Q16832 2/20 0.50
SLC2A1 P11166 1/20 0.49
RET P07949 1/20 0.48
FASN P49327 4/20 0.48
PRKAA2 P54646 1/20 0.48
PPARG P37231 1/20 0.47
RORC P51449 1/20 0.47
GPR6 P46095 1/20 0.47
BRAF P15056 1/20 0.44

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
SCHEMBL10080385 0.95 DDR2 (0.49) MAPK14DDR2SLC2A1FASNPRKAA2
SCHEMBL1140453 0.94 DDR2 (0.49) MAPK14DDR2RETFASNPRKAA2
SCHEMBL1140460 0.93 DDR2 (0.48) MAPK14DDR2SLC2A1RETFASN
SCHEMBL1140493 0.93 DDR2 (0.48) MAPK14DDR2SLC2A1RETFASN
SCHEMBL1140359 0.93 DDR2 (0.53) MAPK14DDR2RETFASNPRKAA2
SCHEMBL6343937 0.93 DDR2 (0.47) MAPK14DDR2SLC2A1RETFASN
SCHEMBL1140351 0.91 HIF1A (0.51) MAPK14DDR2RETFASNPPARG
SCHEMBL1140297 0.91 FASN (0.49) MAPK14DDR2SLC2A1FASNPRKAA2
SCHEMBL1140747 0.90 MAPK14 (0.51) MAPK14DDR2RETFASNPPARG
SCHEMBL6364860 0.89 DDR2 (0.49) MAPK14DDR2RETFASNPRKAA2

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 13 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
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
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 (4 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 MAPK14 1199/4885DDR2 1123/4885SLC2A1 2030/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 MAPK14 2353/4885DDR2 1167/4885SLC2A1 1937/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPK14 1601/4885DDR2 704/4885SLC2A1 1857/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPK14 1601/4885DDR2 704/4885SLC2A1 1857/4885

“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.