SCHEMBL2936033

SCHEMBL2936033

O=C(Nc1ccccn1)Nc1cnccc1CN1CC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
FGFR1 P11362 2/20 0.44
KDR P35968 2/20 0.44
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RY1 P47900 9/20 0.37
TRPV1 Q8NER1 2/20 0.37
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 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
SCHEMBL2941043 0.90 NPC1 (0.48) KDRNPC1RAB9AP2RY1GSK3A
SCHEMBL2938436 0.87 IGF1R (0.38) EGFRFGFR1KDRNPC1RAB9A
SCHEMBL2934142 0.87 PPARD (0.38) KDRNPC1RAB9ATRPV1GSK3A
SCHEMBL2937211 0.86 TRPV1 (0.50) TRPV1MAPT
SCHEMBL2941261 0.85 GSK3A (0.41) TRPV1GSK3AGSK3B
SCHEMBL2938253 0.85 PPARD (0.40) KDRNPC1RAB9ATRPV1GSK3A
SCHEMBL2941339 0.85 NPC1 (0.44) KDRNPC1RAB9AP2RY1LMNA
SCHEMBL2941399 0.85 GSK3A (0.37) KDRNPC1RAB9ATRPV1GSK3A
SCHEMBL2938268 0.84 CACNA1H (0.45) TRPV1GSK3AGSK3B
SCHEMBL2933994 0.84 EGFR (0.42) EGFRFGFR1KDRNPC1RAB9A

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 EGFR 896/4885FGFR1 2125/4885KDR 2201/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA EGFR 794/4885FGFR1 1538/4885KDR 2403/4885

“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.