SCHEMBL2940478

SCHEMBL2940478

O=C(c1cc(CN2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2=O)ccn1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
ABL1 P00519 3/20 0.39
BCR P11274 1/20 0.39
KCNH2 Q12809 1/20 0.39
PPARG P37231 2/20 0.38
NLRP3 Q96P20 1/20 0.37
NPC1 O15118 1/20 0.37
MAPK7 Q13164 1/20 0.37
SCN9A Q15858 1/20 0.37
STAT3 P40763 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
GPR52 Q9Y2T5 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
SCHEMBL2937714 0.91 EPHX2 (0.44) EPHX2PPARDPPARAPPARGSCN9A
SCHEMBL2940531 0.90 PPARD (0.43) EPHX2PPARDPPARAABL1BCR
SCHEMBL2994366 0.89 KCNA5 (0.43) PPARDPPARAPPARGNPC1SCN9A
SCHEMBL2939432 0.88 ABL1 (0.41) EPHX2PPARDPPARAABL1KCNH2
SCHEMBL2938621 0.86 PTGS2 (0.40) PPARDPPARAGPR52
SCHEMBL2937479 0.86 IGF1R (0.49) PPARDPPARA
SCHEMBL2935376 0.86 PPARD (0.48) EPHX2PPARDPPARAPPARG
SCHEMBL2934887 0.86 IGF1R (0.47) PPARDPPARAPPARG
SCHEMBL2940588 0.84 ABL1 (0.46) PPARDPPARAABL1BCRKCNH2
SCHEMBL2941250 0.83 IGF1R (0.55) PPARDPPARAPPARG

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 EPHX2 3969/4885PPARD 3189/4885PPARA 4338/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA EPHX2 3424/4885PPARD 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.