SCHEMBL2936895

SCHEMBL2936895

Nc1cnc2ccccc2c1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.41
IGF1R P08069 1/20 0.39
LIPE Q05469 5/20 0.35
MCHR1 Q99705 4/20 0.35
OPRL1 P41146 1/20 0.34
NTRK1 P04629 1/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ENPP2 Q13822 1/20 0.32
HDAC1 Q13547 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL2939719 0.90 GCGR (0.41) GCGRIGF1RLIPEMCHR1
SCHEMBL2939105 0.89 GCGR (0.42) GCGRIGF1RLIPEMCHR1PTGER4
SCHEMBL2936711 0.89 GCGR (0.42) GCGRIGF1RLIPEMCHR1NTRK1
SCHEMBL2942054 0.88 IGF1R (0.51) IGF1R
SCHEMBL2943023 0.88 GCGR (0.41) GCGRIGF1RMCHR1
SCHEMBL2937513 0.87 GCGR (0.42) GCGRIGF1RLIPEMCHR1NTRK1
SCHEMBL2935293 0.87 GCGR (0.41) GCGRIGF1RLIPEMCHR1OPRL1
SCHEMBL2936119 0.86 IGF1R (0.45) IGF1RNTRK1
SCHEMBL2937833 0.85 GCGR (0.39) GCGRIGF1RLIPEMCHR1ENPP2
SCHEMBL2994785 0.85 IGF1R (0.56) IGF1RMCHR1

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 2462/4885IGF1R 1595/4885LIPE 2214/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885IGF1R 962/4885LIPE 3248/4885

“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.