SCHEMBL2940588

SCHEMBL2940588

O=C1CN(Cc2ccnc(N3CCOCC3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.46
BCR P11274 1/20 0.44
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
PRKDC P78527 1/20 0.39
CETP P11597 1/20 0.39
SCN9A Q15858 1/20 0.39
PIK3CA P42336 3/20 0.38
MCHR1 Q99705 1/20 0.37
AKT1 P31749 1/20 0.37
MTOR P42345 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL2935236 0.91 CCR6 (0.42) ABL1HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL2940698 0.89 ABL1 (0.46) ABL1OPRM1OPRL1PPARDPPARA
SCHEMBL2941421 0.85 IGF1R (0.44) HCRTR1HCRTR2OPRM1OPRL1CETP
SCHEMBL2939931 0.85 HCRTR1 (0.40) ABL1HCRTR1HCRTR2OPRM1OPRL1
SCHEMBL2940478 0.84 EPHX2 (0.41) ABL1BCRPPARDPPARASCN9A
SCHEMBL2931615 0.83 PPARD (0.44) PPARDPPARA
SCHEMBL2939432 0.82 ABL1 (0.41) ABL1PPARDPPARASCN9AKCNH2
SCHEMBL2938329 0.82 PKM (0.38) ABL1BCRPPARDPPARAPRKDC
SCHEMBL2939302 0.82 HCRTR1 (0.41) HCRTR1HCRTR2PPARDPPARA
SCHEMBL2940538 0.82 PPARD (0.48) PPARDPPARA

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 2102/4885HCRTR1 4640/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ABL1 683/4885BCR 1728/4885HCRTR1 4352/4885

“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.