SCHEMBL2936840

SCHEMBL2936840

O=C(NCc1ccc(Cl)cc1)c1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.49
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ABCB1 P08183 1/20 0.40
METAP2 P50579 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
PDE2A O00408 1/20 0.39
KLKB1 P03952 1/20 0.39
NAMPT P43490 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PRCP P42785 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL2940626 0.92 GCGR (0.49) GCGRCYP2C9CYP3A4EGLN1TRPV1
SCHEMBL2939279 0.90 IGF1R (0.44) GCGRCYP2C9CYP3A4EGLN1ABCB1
SCHEMBL2932166 0.88 GCGR (0.48) GCGRCYP2C9CYP3A4MCHR1
SCHEMBL2940419 0.88 IGF1R (0.47) GCGR
SCHEMBL2942195 0.84 GCGR (0.47) GCGRCYP3A4TRPV1MCHR1
SCHEMBL2936920 0.84 CYP2C9 (0.41) GCGRCYP2C9CYP3A4EGLN1ABCB1
SCHEMBL2936837 0.84 GCGR (0.44) GCGRCYP3A4MCHR1PRCP
SCHEMBL2940712 0.84 GCGR (0.52) GCGRTRPV1NAMPT
SCHEMBL2932824 0.84 GCGR (0.45) GCGRCYP3A4TRPV1MCHR1
SCHEMBL2941313 0.83 GCGR (0.46) GCGRTP53NAMPTMCHR1SMN1; SMN2

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 GCGR 2462/4885CYP2C9 2056/4885CYP3A4 2988/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885CYP2C9 2119/4885CYP3A4 2877/4885

“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.