SCHEMBL2940000

SCHEMBL2940000

CN1CCN(c2cnccc2CN2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)C23CC3)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
TRPV4 Q9HBA0 4/20 0.39
MCHR1 Q99705 8/20 0.38
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 1/20 0.37
NTRK1 P04629 1/20 0.36
IGF1R P08069 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAP4K1 Q92918 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2938628 0.91 GCGR (0.41) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2937364 0.90 IGF1R (0.46) TRPV4ALDH1A1NTRK1IGF1R
SCHEMBL2939602 0.90 GCGR (0.40) GCGRMCHR1CYP3A4KCNH2
SCHEMBL2935405 0.86 IGF1R (0.52) NTRK1IGF1R
SCHEMBL2941092 0.85 GCGR (0.44) GCGRMCHR1CYP3A4ALDH1A1MEN1
SCHEMBL2931386 0.85 GCGR (0.45) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2939915 0.85 GCGR (0.45) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2937053 0.84 GCGR (0.44) GCGRMCHR1CYP3A4IGF1RKCNH2
SCHEMBL2941501 0.84 MCHR1 (0.44) GCGRMCHR1CYP3A4IGF1R
SCHEMBL3728425 0.83 GCGR (0.46) GCGRMCHR1CYP3A4IGF1RKCNH2

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 2462/4885TRPV4 4699/4885MCHR1 4505/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885TRPV4 4518/4885MCHR1 4236/4885

“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.