SCHEMBL2939302

SCHEMBL2939302

O=C1CN(Cc2ccnc(-n3cccn3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.41
HCRTR2 O43614 6/20 0.41
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
EGLN1 Q9GZT9 1/20 0.38
ENPP2 Q13822 2/20 0.38
PPARG P37231 2/20 0.36
NTRK1 P04629 1/20 0.36
TAS2R8 Q9NYW2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KCNN4 O15554 1/20 0.34
KLKB1 P03952 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
SCHEMBL3736333 0.85 IGF1R (0.44) HCRTR1HCRTR2
SCHEMBL2939603 0.85 HCRTR1 (0.39) HCRTR1HCRTR2PPARDPPARAENPP2
SCHEMBL2935236 0.83 CCR6 (0.42) HCRTR1HCRTR2PPARDPPARAENPP2
SCHEMBL2931615 0.83 PPARD (0.44) PPARDPPARAENPP2PPARGNTRK1
SCHEMBL2940588 0.82 ABL1 (0.46) HCRTR1HCRTR2PPARDPPARA
SCHEMBL2940698 0.82 ABL1 (0.46) PPARDPPARAPPARGNTRK1ALDH1A1
SCHEMBL2939807 0.82 IGF1R (0.44) PPARDPPARAENPP2PPARGNTRK1
SCHEMBL2940538 0.82 PPARD (0.48) PPARDPPARAENPP2PPARGNTRK1
SCHEMBL2941192 0.82 PPARD (0.43) HCRTR1HCRTR2PPARDPPARAENPP2
SCHEMBL2937205 0.82 IGF1R (0.44) PPARDPPARAENPP2PPARGNTRK1

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 HCRTR1 4640/4885HCRTR2 4799/4885PPARD 3189/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA HCRTR1 4352/4885HCRTR2 4696/4885PPARD 3572/4885

“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.