SCHEMBL2941125

SCHEMBL2941125

O=C(Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.45
EPHX2 P34913 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
SRPK1 Q96SB4 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MCHR1 Q99705 3/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP3A4 P08684 1/20 0.35
FLT1 P17948 2/20 0.34
KDR P35968 2/20 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
SCHEMBL2935052 0.90 IGF1R (0.42) GCGRTRPV1
SCHEMBL2937907 0.88 IGF1R (0.45) SRPK1
SCHEMBL2936066 0.88 GCGR (0.50) GCGRTRPV1KDM4CMCHR1GSK3A
SCHEMBL2941101 0.86 GCGR (0.46) GCGRTRPV1RAB9AKDM5AKDM4C
SCHEMBL2942206 0.86 GCGR (0.45) GCGRTRPV1KDM5AKDM4CKDM5B
SCHEMBL2931754 0.86 TRPV1 (0.49) GCGREPHX2TRPV1KDM5AKDM4C
SCHEMBL2937927 0.86 GCGR (0.47) GCGRTRPV1MCHR1CYP3A4FLT1
SCHEMBL2936589 0.85 GCGR (0.51) GCGRTRPV1GSK3AGSK3B
SCHEMBL2939936 0.85 GCGR (0.45) GCGREPHX2TRPV1ALDH1A1MCHR1
SCHEMBL2940712 0.85 GCGR (0.52) GCGRTRPV1GSK3AGSK3B

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 2462/4885EPHX2 3969/4885TRPV1 4520/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GCGR 2407/4885EPHX2 3424/4885TRPV1 4322/4885

“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.