SCHEMBL2933994

SCHEMBL2933994

O=C(Nc1ccccn1)Nc1cnccc1CN1C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)C12CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
FGFR1 P11362 2/20 0.42
KDR P35968 2/20 0.42
GCGR P47871 2/20 0.42
TRPV1 Q8NER1 2/20 0.39
P2RY1 P47900 9/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 3/20 0.35
CYP3A4 P08684 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 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
SCHEMBL2941129 0.90 IGF1R (0.43) EGFRFGFR1KDRTRPV1P2RY1
SCHEMBL2934476 0.90 NPC1 (0.46) GCGRTRPV1P2RY1NPC1RAB9A
SCHEMBL2941101 0.88 GCGR (0.46) KDRGCGRTRPV1P2RY1NPC1
SCHEMBL2932301 0.88 IGF1R (0.45)
SCHEMBL2931754 0.88 TRPV1 (0.49) GCGRTRPV1MCHR1
SCHEMBL2940212 0.87 IGF1R (0.47) EGFRFGFR1KDRNPC1RAB9A
SCHEMBL2936066 0.86 GCGR (0.50) GCGRTRPV1MCHR1GSK3AGSK3B
SCHEMBL2937927 0.86 GCGR (0.47) KDRGCGRTRPV1P2RY1MCHR1
SCHEMBL2938673 0.85 GCGR (0.44) GCGRTRPV1P2RY1MCHR1CYP3A4
SCHEMBL2942206 0.85 GCGR (0.45) GCGRTRPV1MCHR1CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US claimed
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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US 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 (3 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 EGFR 4854/4885FGFR1 1177/4885KDR 3621/4885
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.