SCHEMBL2744893

SCHEMBL2744893

COc1ccc(-c2cc[c]cc2C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CASP1 P29466 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP1 P09874 5/20 0.47
PARP10 Q53GL7 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
BACE1 P56817 1/20 0.46
CHEK1 O14757 1/20 0.44
FGFR1 P11362 1/20 0.43
SRC P12931 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR4 P22455 1/20 0.43
FGFR3 P22607 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
SCHEMBL4916850 0.82 PARP1 (0.49) KDM4EPARP1CHEK2ALDH1A1IKBKB
SCHEMBL4924163 0.81 IKBKB (0.43) CYP1A2CYP2C9CYP2C19FGFR1FGFR3
SCHEMBL3870677 0.81 CASP1 (0.46) CASP1KDM4EPARP1FGFR1SRC
SCHEMBL2637648 0.80 BCAT2 (0.61) SMN1; SMN2CASP1KDM4ECYP2C19PARP1
SCHEMBL2783620 0.80 HDAC4 (0.45) SMN1; SMN2KDM4ECYP2D6CYP2C9CA1
SCHEMBL4963646 0.79 BCAT2 (0.65) SMN1; SMN2CASP1KDM4ECYP1A2CYP2D6
SCHEMBL29272817 0.79 SMN1; SMN2 (0.73) SMN1; SMN2CASP1KDM4ECYP1A2CYP2D6
SCHEMBL4929079 0.78 CASP1 (0.49) CASP1PARP1PARP10CA1CA2
SCHEMBL3225405 0.78 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ECYP2C19PARP1CA1
SCHEMBL3119391 0.77 CASP1 (0.48) SMN1; SMN2CASP1KDM4EPARP1BACE1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP claimed
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 WO claimed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO claimed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 EP disclosed
EP-2363393-B1 Compounds and compositions as hedgehog pathway modulators NOVARTIS AG (CH) 2015-08-12 EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 US disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 WO disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (8 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS SMN1; SMN2 2774/4885CASP1 2384/4885KDM4E 1283/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR SMN1; SMN2 4283/4885CASP1 2563/4885KDM4E 2329/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 SMN1; SMN2 3424/4885CASP1 1418/4885KDM4E 1039/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 SMN1; SMN2 3095/4885CASP1 3044/4885KDM4E 1072/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3605/4885CASP1 3551/4885KDM4E 1129/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO SMN1; SMN2 3605/4885CASP1 3551/4885KDM4E 1129/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 SMN1; SMN2 2886/4885CASP1 2840/4885KDM4E 1890/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO SMN1; SMN2 1786/4885CASP1 2946/4885KDM4E 1460/4885

“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.