SCHEMBL2934035

SCHEMBL2934035

O=C1N(c2ccc(OC(F)(F)F)cc2)C(=O)C2(CC2)N1Cc1ccncc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.44
GCGR P47871 2/20 0.41
SLC40A1 Q9NP59 2/20 0.38
MCHR1 Q99705 6/20 0.38
IGF1R P08069 1/20 0.37
CYP3A4 P08684 4/20 0.36
NAMPT P43490 2/20 0.36
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL2936942 0.92 CCR9 (0.46) CCR9GCGRMCHR1IGF1RNAMPT
SCHEMBL2940536 0.90 GCGR (0.41) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2941407 0.89 IGF1R (0.49) CCR9SLC40A1IGF1RNAMPT
SCHEMBL2935038 0.89 GCGR (0.42) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2936824 0.88 GCGR (0.45) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2941386 0.88 GCGR (0.41) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2938903 0.88 GCGR (0.41) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2935802 0.88 GCGR (0.38) CCR9GCGRMCHR1IGF1RCYP3A4
SCHEMBL2938780 0.87 IGF1R (0.45) MCHR1IGF1R
SCHEMBL2939107 0.87 GCGR (0.42) CCR9GCGRMCHR1IGF1RCYP3A4

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 CCR9 3896/4885GCGR 2462/4885SLC40A1 4028/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA CCR9 4016/4885GCGR 2407/4885SLC40A1 3944/4885

“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.