SCHEMBL2942229

SCHEMBL2942229

O=C(Nc1ccccc1)c1cnccc1CN1CC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IGF1R P08069 5/20 0.38
KDR P35968 8/20 0.38
FLT1 P17948 7/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
ENPP2 Q13822 2/20 0.36
NAMPT P43490 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KCNK2 O95069 1/20 0.34
KCNK10 P57789 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
SCHEMBL2939848 0.88 IGF1R (0.44) IGF1RPPARDPPARANR1H4
SCHEMBL2939581 0.88 IGF1R (0.42) IGF1RPPARGPPARDPPARAENPP2
SCHEMBL2934255 0.87 TRPV1 (0.41) NPC1RAB9ASMN1; SMN2IGF1RENPP2
SCHEMBL2939402 0.86 KDR (0.46) NPC1RAB9ASMN1; SMN2KDRFLT1
SCHEMBL2942835 0.86 RXFP1 (0.41) SMN1; SMN2IGF1RKDRFLT1ENPP2
SCHEMBL2932764 0.85 IGF1R (0.42) IGF1RPPARGPPARDPPARAENPP2
SCHEMBL2939633 0.85 KCNK2 (0.42) IGF1RPPARGPPARDPPARANR1H4
SCHEMBL2934064 0.85 IGF1R (0.37) SMN1; SMN2IGF1RPPARGPPARDPPARA
SCHEMBL2937958 0.84 IGF1R (0.44) IGF1RENPP2
SCHEMBL2939148 0.84 IGF1R (0.37) NPC1RAB9ASMN1; SMN2IGF1RKDR

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 NPC1 2549/4885RAB9A 1706/4885SMN1; SMN2 3761/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA NPC1 2042/4885RAB9A 2275/4885SMN1; SMN2 4365/4885

“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.