SCHEMBL2938306

SCHEMBL2938306

O=C(Nc1cc(CN2CC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
BRAF P15056 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IGF1R P08069 1/20 0.36
MAPK14 Q16539 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 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
SCHEMBL2940685 0.92 NPC1 (0.42) POLBNPC1RAB9AIGF1RSMN1; SMN2
SCHEMBL2935703 0.91 RAB9A (0.41) TAS2R8NPC1RAB9AIGF1RMAPK14
SCHEMBL2938795 0.87 ACKR3 (0.43) POLBNPC1RAB9AIGF1RMAPK14
SCHEMBL2938895 0.87 IGF1R (0.38) POLBTP53IGF1RSMN1; SMN2LMNA
SCHEMBL2934722 0.87 GRM5 (0.46) GRM5BRAFPPARDPPARA
SCHEMBL2940634 0.87 IGF1R (0.50) GRM5IGF1R
SCHEMBL2940329 0.85 RAB9A (0.39) TAS2R8NPC1RAB9AIGF1RMAPK14
SCHEMBL2934573 0.85 HDAC6 (0.42) POLBTP53MAPTNPC1RAB9A
SCHEMBL2938006 0.84 IGF1R (0.49) MAPTNPC1RAB9AIGF1RMAPK14
SCHEMBL2938394 0.84 NR3C2 (0.45) IGF1RPPARDPPARA

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 GRM5 4709/4885POLB 1465/4885TP53 490/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA GRM5 4620/4885POLB 1739/4885TP53 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.