SCHEMBL2931989

SCHEMBL2931989

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.56
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
SMO Q99835 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL2937984 0.91 IGF1R (0.59) IGF1RHCRTR1HCRTR2SMOGAA
SCHEMBL2941308 0.90 IGF1R (0.58) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2939591 0.90 IGF1R (0.65) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2937493 0.88 HCRTR1 (0.43) IGF1RHCRTR1HCRTR2SMOTSHR
SCHEMBL2939770 0.86 IGF1R (0.61) IGF1RHCRTR1HCRTR2SMOGAA
SCHEMBL2939892 0.85 IGF1R (0.51) IGF1RHCRTR1HCRTR2
SCHEMBL2932812 0.84 IGF1R (0.65) IGF1RHCRTR1HCRTR2SMOMAPK1
SCHEMBL2940226 0.84 IGF1R (0.58) IGF1RHCRTR1HCRTR2SMOPTGS2
SCHEMBL2936880 0.83 IGF1R (0.53) IGF1RTSHRMAPK1GAAPOLB
SCHEMBL2940910 0.83 IGF1R (0.51) IGF1RSMOTSHRMAPK1GAA

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 IGF1R 1595/4885HCRTR1 4640/4885HCRTR2 4799/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885HCRTR1 4352/4885HCRTR2 4696/4885

“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.