SCHEMBL2941387

SCHEMBL2941387

O=C1N(c2ccc(OC(F)(F)F)cc2)C(=O)C2(CC2)N1Cc1ccncc1Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
MCHR1 Q99705 8/20 0.40
CYP3A4 P08684 5/20 0.38
IGF1R P08069 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
LIPE Q05469 2/20 0.36
CTSC P53634 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL2940536 0.89 GCGR (0.41) GCGRMCHR1CYP3A4IGF1RGSK3A
SCHEMBL2934476 0.89 NPC1 (0.46) GCGRIGF1R
SCHEMBL2939996 0.89 IGF1R (0.48) IGF1RGSK3AGSK3BCTSCTP53
SCHEMBL2940316 0.88 GCGR (0.45) GCGRMCHR1CYP3A4IGF1R
SCHEMBL2941101 0.87 GCGR (0.46) GCGRMCHR1CYP3A4FLT1KDR
SCHEMBL2936066 0.87 GCGR (0.50) GCGRMCHR1GSK3AGSK3BKDM4C
SCHEMBL2934035 0.87 CCR9 (0.44) GCGRMCHR1CYP3A4IGF1RTP53
SCHEMBL2933273 0.86 IGF1R (0.51) MCHR1IGF1RKDM4C
SCHEMBL2938673 0.86 GCGR (0.44) GCGRMCHR1CYP3A4GSK3AGSK3B
SCHEMBL2936692 0.86 GCGR (0.44) GCGRMCHR1CYP3A4IGF1RLIPE

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 2462/4885MCHR1 4505/4885CYP3A4 2988/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885MCHR1 4236/4885CYP3A4 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.