SCHEMBL2936043

SCHEMBL2936043

COc1ccc(CNC(=O)c2cc(CN3C(=O)N(c4ccc(OC(F)(F)F)cc4)C(=O)C3C)ccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
ADRB2 P07550 1/20 0.42
VNN1 O95497 1/20 0.42
IGF1R P08069 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL2941336 0.93 SMO (0.46) MMP13ADRB2IGF1REPHX2NR1H4
SCHEMBL2938382 0.90 IGF1R (0.54) MMP13TSHRRAB9AMAPK1IGF1R
SCHEMBL2936880 0.89 IGF1R (0.53) MMP13TSHRRAB9AMAPK1IGF1R
SCHEMBL2935762 0.87 IGF1R (0.50) TSHRIGF1REPHX2
SCHEMBL2939801 0.85 IGF1R (0.47) IGF1R
SCHEMBL2942612 0.85 SMO (0.44) IGF1RPPARDPPARAEPHX2
SCHEMBL2936045 0.85 TSHR (0.38) TSHRMAPK1IGF1RGAA
SCHEMBL2999377 0.84 MAPT (0.43) TSHRRAB9AMAPK1VNN1IGF1R
SCHEMBL2941004 0.84 IGF1R (0.60) RAB9AIGF1R
SCHEMBL2938007 0.84 ALDH1A1 (0.44) MMP13RAB9AADRB2VNN1IGF1R

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 MMP13 4174/4885TSHR 3517/4885RAB9A 1706/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA MMP13 4447/4885TSHR 3763/4885RAB9A 2275/4885

“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.