SCHEMBL1140599

SCHEMBL1140599

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1-c1ccc(N(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C19 P33261 1/20 0.63
KCNQ3 O43525 1/20 0.60
KCNQ2 O43526 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57
STAT3 P40763 1/20 0.56
MAPK13 O15264 1/20 0.55
HSPB1 P04792 1/20 0.55
MAPK12 P53778 1/20 0.55
MAPK11 Q15759 1/20 0.55
MAPK14 Q16539 1/20 0.55
BRAF P15056 12/20 0.54
RAF1 P04049 11/20 0.54

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
SCHEMBL1140865 0.97 MAPT (0.59) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140173 0.91 KCNQ3 (0.57) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140439 0.90 MAPT (0.62) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL3919958 0.90 MAPT (0.66) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL12323377 0.89 MAPT (0.65) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140864 0.88 MAPT (0.48) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL6338330 0.88 MAPT (0.48) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140524 0.87 MAPT (0.63) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140259 0.87 MAPT (0.58) MAPTCYP1A2CYP2C19KCNQ3KCNQ2
SCHEMBL1140654 0.86 MAPT (0.62) MAPTCYP1A2CYP2C19KCNQ3KCNQ2

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
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
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 MAPT 3710/4885CYP1A2 2893/4885CYP2C19 3908/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 MAPT 4534/4885CYP1A2 2821/4885CYP2C19 3888/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885CYP1A2 4797/4885CYP2C19 4878/4885
US-20110039850-A1 Leukemia Treatment ABL1, MCL1, BCR MAPT 3581/4885CYP1A2 4144/4885CYP2C19 4516/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4520/4885CYP1A2 4797/4885CYP2C19 4878/4885

“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.