Sugi Predict

Sugi Predict / Compounds / SCHEMBL2936880

SCHEMBL2936880

SCHEMBL2936880

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

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.53
▸ MMP13 P45452 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL2939240 0.91 IGF1R (0.55) IGF1RMMP13POLBCYP1A2CYP2C9
SCHEMBL2936043 0.89 MMP13 (0.45) IGF1RMMP13TSHRRAB9AMAPK1
SCHEMBL2938382 0.87 IGF1R (0.54) IGF1RMMP13TSHRRAB9AMAPK1
SCHEMBL2936882 0.86 IGF1R (0.51) IGF1RTSHRMAPK1POLBGAA
SCHEMBL2939858 0.85 IGF1R (0.59) IGF1R
SCHEMBL2939313 0.85 IGF1R (0.57) IGF1RMMP13
SCHEMBL2940910 0.85 IGF1R (0.51) IGF1RTSHRRAB9AMAPK1POLB
SCHEMBL2936936 0.85 ALDH1A1 (0.42) IGF1RMMP13RAB9APOLBALDH1A1
SCHEMBL2938849 0.84 IGF1R (0.61) IGF1RGAA
SCHEMBL2942468 0.84 IGF1R (0.61) IGF1R

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 1595/4885MMP13 4174/4885TSHR 3517/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA IGF1R 962/4885MMP13 4447/4885TSHR 3763/4885

“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.