SCHEMBL2935995

SCHEMBL2935995

CC1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.44
BCR P11274 1/20 0.42
IGF1R P08069 1/20 0.39
SMO Q99835 3/20 0.39
PIK3CA P42336 1/20 0.39
MCHR1 Q99705 1/20 0.38
HCRTR1 O43613 4/20 0.38
HCRTR2 O43614 4/20 0.38
PRKDC P78527 1/20 0.38
SCN9A Q15858 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL2940003 0.91 HCRTR1 (0.44) ABL1IGF1RSMOMCHR1HCRTR1
SCHEMBL2935161 0.90 ABL1 (0.44) ABL1IGF1RSMOMCHR1HCRTR1
SCHEMBL2934553 0.86 IGF1R (0.45) IGF1RSMO
SCHEMBL2942481 0.85 IGF1R (0.56) IGF1RSMOPIK3CAHCRTR1HCRTR2
SCHEMBL3727642 0.85 EPHX2 (0.40) ABL1BCRIGF1RSMO
SCHEMBL2986499 0.84 ABL1 (0.40) ABL1IGF1RSMOMCHR1SCN9A
SCHEMBL2932135 0.83 IGF1R (0.39) ABL1IGF1RSMOMCHR1HCRTR1
SCHEMBL2933455 0.82 SMO (0.45) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL2935401 0.82 SMO (0.45) IGF1RSMOHCRTR1HCRTR2CYP3A4
SCHEMBL2938050 0.82 HCRTR1 (0.50) IGF1RSMOHCRTR1HCRTR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 ABL1 776/4885BCR 2102/4885IGF1R 1595/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ABL1 683/4885BCR 1728/4885IGF1R 962/4885

“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.