SCHEMBL2938381

SCHEMBL2938381

O=C1CN(Cc2ccnc(-c3cccc(Cl)c3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
GRIN2B Q13224 2/20 0.42
FNTA P49354 1/20 0.41
PGGT1B P53609 1/20 0.41
NTRK1 P04629 1/20 0.40
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PTGES O14684 1/20 0.37
PPARG P37231 1/20 0.37
LIPE Q05469 3/20 0.36
PRCP P42785 2/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
KCNN4 O15554 1/20 0.35
GRM2 Q14416 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 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
SCHEMBL2940927 0.90 ENPP2 (0.43) ENPP2GRIN2BFNTAPGGT1BNTRK1
SCHEMBL2934206 0.90 ENPP2 (0.49) ENPP2NTRK1PPARDPPARAMEN1
SCHEMBL2939977 0.86 IGF1R (0.47) ENPP2
SCHEMBL2938753 0.85 TRPA1 (0.46) ENPP2NTRK1PPARDPPARAPPARG
SCHEMBL2940997 0.85 ENPP2 (0.42) ENPP2GRIN2BPPARDPPARAMEN1
SCHEMBL2940567 0.85 ENPP2 (0.41) ENPP2GRIN2BNTRK1PPARDPPARA
SCHEMBL2938658 0.85 SMN1; SMN2 (0.45) ENPP2NTRK1PPARDPPARAPPARG
SCHEMBL2938459 0.84 ENPP2 (0.42) ENPP2GRIN2BNTRK1PPARDPPARA
SCHEMBL2937205 0.84 IGF1R (0.44) ENPP2GRIN2BNTRK1PPARDPPARA
SCHEMBL2934722 0.83 GRM5 (0.46) GRIN2BNTRK1PPARDPPARALIPE

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 ENPP2 3905/4885GRIN2B 4667/4885FNTA 2879/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA ENPP2 3920/4885GRIN2B 4630/4885FNTA 2835/4885

“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.