SCHEMBL2940863

SCHEMBL2940863

COc1ccc(N(C)C(=O)c2cnccc2CN2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.53
ORAI1 Q96D31 1/20 0.37
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2939645 0.91 IGF1R (0.54) IGF1RKMT2AMAPTMEN1
SCHEMBL2940167 0.91 IGF1R (0.60) IGF1RTP53KMT2AMAPTMEN1
SCHEMBL2941293 0.89 ORAI1 (0.39) IGF1RORAI1TP53ALDH1A1GAA
SCHEMBL2936962 0.87 IGF1R (0.60) IGF1RMAPT
SCHEMBL2937592 0.87 ORAI1 (0.37) IGF1RORAI1TP53ALDH1A1GAA
SCHEMBL2940860 0.84 IGF1R (0.54) IGF1RTP53ALDH1A1GAACYP3A4
SCHEMBL2938670 0.84 ORAI1 (0.36) IGF1RORAI1ALDH1A1GAACYP3A4
SCHEMBL2937464 0.84 IGF1R (0.62) IGF1RTDP1
SCHEMBL2940488 0.84 IGF1R (0.53) IGF1RORAI1ALDH1A1GAACYP3A4
SCHEMBL2937516 0.83 IGF1R (0.63) IGF1RMAPK1

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 1595/4885ORAI1 3681/4885TP53 490/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885ORAI1 3683/4885TP53 744/4885

“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.