SCHEMBL2933031

SCHEMBL2933031

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)[N+]1(Cc1ccnc2ccccc12)OC(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.40
LCK P06239 1/20 0.40
RET P07949 1/20 0.40
CYP3A4 P08684 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
MAP3K20 Q9NYL2 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
IGF1R P08069 2/20 0.40
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
ADAM17 P78536 1/20 0.34
EPHX2 P34913 1/20 0.34
TEAD1 P28347 3/20 0.34
TEAD4 Q15561 3/20 0.34
TEAD2 Q15562 3/20 0.34
TEAD3 Q99594 3/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL2942834 0.88 IGF1R (0.40) IGF1R
SCHEMBL3739476 0.87 IGF1R (0.56) IGF1RTRPV1ADAM17AR
SCHEMBL2932720 0.83 L3MBTL1 (0.34) CYP3A4KDRTRPV1
Trifluoroacetic Acid SCHEMBL2933028 0.73 IGF1R (0.65) RAF1LCKRETCYP3A4KIT
SCHEMBL2936903 0.72 IGF1R (0.72) RAF1LCKRETCYP3A4KIT
SCHEMBL2933782 0.72 IGF1R (0.60) RAF1LCKRETCYP3A4KIT
SCHEMBL4884585 0.71 IGF1R (0.36) CYP3A4IGF1R
SCHEMBL2943572 0.71 IGF1R (0.41) IGF1R
SCHEMBL5484507 0.71 FLT1 (0.36) KDR
SCHEMBL6173166 0.70 RAF1 (0.43) RAF1LCKRETCYP3A4KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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
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 RAF1 115/4885LCK 41/4885RET 21/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 RAF1 52/4885LCK 488/4885RET 260/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA RAF1 59/4885LCK 482/4885RET 334/4885

“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.