SCHEMBL2936045

SCHEMBL2936045

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
IGF1R P08069 1/20 0.37
GAA P10253 1/20 0.37
BLM P54132 1/20 0.36
HCRTR1 O43613 11/20 0.36
HCRTR2 O43614 10/20 0.36
SMO Q99835 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 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
SCHEMBL2941338 0.93 SMO (0.46) IGF1RBLMHCRTR1HCRTR2SMO
SCHEMBL2941449 0.93 SMO (0.43) IGF1RGAABLMHCRTR1HCRTR2
SCHEMBL2938379 0.90 IGF1R (0.47) TSHRIGF1R
SCHEMBL2936882 0.89 IGF1R (0.51) TSHRMAPK1IGF1RGAASMO
SCHEMBL2939913 0.89 IGF1R (0.40) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2936043 0.85 MMP13 (0.45) TSHRMAPK1IGF1RGAA
SCHEMBL2942612 0.85 SMO (0.44) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2939801 0.85 IGF1R (0.47) IGF1RHCRTR1HCRTR2SMOCYP3A4
SCHEMBL2935762 0.83 IGF1R (0.50) TSHRIGF1RSMO
SCHEMBL2938008 0.83 SMN1; SMN2 (0.42) IGF1RBLM

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 TSHR 3517/4885MAPK1 53/4885IGF1R 1595/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TSHR 3763/4885MAPK1 42/4885IGF1R 962/4885

“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.