SCHEMBL2940698

SCHEMBL2940698

CN1CCN(c2cc(CN3CC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR6 P51684 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
TRPV4 Q9HBA0 4/20 0.40
NTRK1 P04629 1/20 0.39
SCN9A Q15858 1/20 0.39
MCHR1 Q99705 1/20 0.38
PPARG P37231 1/20 0.38
MAP4K1 Q92918 1/20 0.38
TLR7 Q9NYK1 2/20 0.37
HTR6 P50406 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36

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
SCHEMBL2935236 0.91 CCR6 (0.42) ABL1PPARDPPARAALDH1A1CCR6
SCHEMBL2940588 0.89 ABL1 (0.46) ABL1PPARDPPARAOPRM1OPRL1
SCHEMBL2935211 0.85 IGF1R (0.49) OPRM1OPRL1
SCHEMBL2940531 0.84 PPARD (0.43) ABL1PPARDPPARAALDH1A1NTRK1
SCHEMBL2940538 0.84 PPARD (0.48) PPARDPPARAALDH1A1NTRK1PPARG
SCHEMBL2942080 0.83 IGF1R (0.52) ABL1
SCHEMBL2934945 0.83 IGF1R (0.46) PPARDPPARAALDH1A1NTRK1PPARG
SCHEMBL2931615 0.83 PPARD (0.44) PPARDPPARAALDH1A1NTRK1PPARG
SCHEMBL3738030 0.83 KMT2A (0.51) PPARDPPARAALDH1A1
SCHEMBL2935161 0.82 ABL1 (0.44) ABL1ALDH1A1CCR6TRPV4NTRK1

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-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
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP 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
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO 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 ABL1 776/4885PPARD 3189/4885PPARA 4338/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ABL1 683/4885PPARD 3572/4885PPARA 4692/4885

“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.