SCHEMBL2939136

SCHEMBL2939136

O=C1CN(Cc2ccncc2F)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R8 Q9NYW2 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
SCN9A Q15858 2/20 0.36
ENPP2 Q13822 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
NTRK1 P04629 1/20 0.34
PPARG P37231 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL2940706 0.89 PPARD (0.38) TAS2R8PPARDPPARASCN9AENPP2
SCHEMBL2938937 0.88 PPARD (0.43) TAS2R8PPARDPPARAENPP2POLB
SCHEMBL2941458 0.88 TAS2R8 (0.38) TAS2R8PPARDPPARAENPP2POLB
SCHEMBL2937375 0.88 PPARD (0.39) TAS2R8PPARDPPARAENPP2POLB
SCHEMBL2934030 0.88 PPARD (0.38) TAS2R8PPARDPPARAENPP2POLB
SCHEMBL2939386 0.88 SCN9A (0.39) TAS2R8PPARDPPARASCN9AENPP2
SCHEMBL2937749 0.88 PPARD (0.37) TAS2R8PPARDPPARASCN9AENPP2
SCHEMBL2941037 0.87 TAS2R8 (0.41) TAS2R8PPARDPPARAPOLBL3MBTL1
SCHEMBL2940696 0.87 PPARD (0.38) TAS2R8PPARDPPARAENPP2POLB
SCHEMBL3732738 0.87 PPARD (0.40) TAS2R8PPARDPPARAENPP2POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 US 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 (3 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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 TAS2R8 2433/4885PPARD 3031/4885PPARA 3492/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 TAS2R8 3914/4885PPARD 3189/4885PPARA 4338/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TAS2R8 4047/4885PPARD 3572/4885PPARA 4692/4885

“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.