SCHEMBL2951980

SCHEMBL2951980

Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cc1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BRAF P15056 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SRC P12931 2/20 0.47
PIKFYVE Q9Y2I7 1/20 0.47
LCK P06239 1/20 0.47
KIT P10721 1/20 0.47
MAPK14 Q16539 1/20 0.47

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
SCHEMBL13202354 0.87 MTOR (0.58) MTORTMPRSS4GAAMAPTKMT2A
SCHEMBL22065213 0.86 GAA (0.53) TMPRSS4GAAMAPTKMT2AMEN1
SCHEMBL22025009 0.86 PTGS1 (0.54) TMPRSS4GAAMAPTKMT2AMEN1
SCHEMBL2949476 0.85 TMPRSS4 (0.53) TMPRSS4GAAMAPTKMT2AMEN1
SCHEMBL22024996 0.84 GAA (0.51) TMPRSS4GAAMAPTKMT2AMEN1
SCHEMBL2952956 0.84 MAPT (0.63) MTORGAAMAPTKMT2AMEN1
SCHEMBL13202362 0.84 MTOR (0.55) MTORGAAMAPTKMT2AMEN1
SCHEMBL2949687 0.83 TMPRSS4 (0.51) TMPRSS4GAAMAPTKMT2ATSHR
SCHEMBL13202466 0.83 TRPV1 (0.67) MTORMAPTHDAC8HDAC6BRAF
SCHEMBL26075656 0.82 PPARG (0.62) TMPRSS4GAAMAPTKMT2AMEN1

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-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8586566-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20120178716-A1 Unsaturated Heterocyclic Derivatives ARIAD PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-8071609-B2 Unsaturated heterocyclic derivatives ARIAD PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-20090156596-A1 Unsaturated Heterocyclic Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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-20090156596-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 MTOR 3318/4885TMPRSS4 3131/4885GAA 2335/4885
US-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 MTOR 311/4885TMPRSS4 3634/4885GAA 2086/4885
US-20120178716-A1 Unsaturated Heterocyclic Derivatives CYP2F1, CYP2J2, ALOX5 MTOR 3318/4885TMPRSS4 3131/4885GAA 2335/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 MTOR 311/4885TMPRSS4 3634/4885GAA 2086/4885

“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.