SCHEMBL2940329

SCHEMBL2940329

O=C(Nc1cc(CN2CC(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2=O)ccn1)c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
IGF1R P08069 4/20 0.37
HSD17B10 Q99714 1/20 0.37
SRPK1 Q96SB4 5/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
FSCN1 Q16658 1/20 0.35
MAPK14 Q16539 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS2R8 Q9NYW2 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
SCHEMBL2935703 0.89 RAB9A (0.41) RAB9ANPC1IGF1RPPARDPPARA
SCHEMBL2938394 0.87 NR3C2 (0.45) IGF1RPPARDPPARA
SCHEMBL2938006 0.87 IGF1R (0.49) RAB9ANPC1IGF1RPPARDPPARA
SCHEMBL2942029 0.86 IGF1R (0.52) RAB9ASMN1; SMN2NPC1CYP1A2MAPK8
SCHEMBL2940685 0.86 NPC1 (0.42) RAB9ASMN1; SMN2NPC1IGF1RPPARD
SCHEMBL2938795 0.86 ACKR3 (0.43) RAB9ASMN1; SMN2NPC1IGF1RPPARD
SCHEMBL2937340 0.86 PPARD (0.40) RAB9ASMN1; SMN2NPC1CYP1A2MAPK8
SCHEMBL2938895 0.86 IGF1R (0.38) SMN1; SMN2IGF1RHSD17B10PPARDPPARA
SCHEMBL2938306 0.85 GRM5 (0.44) RAB9ASMN1; SMN2NPC1IGF1RHSD17B10
SCHEMBL2938296 0.85 NAMPT (0.43) IGF1RPPARDPPARAMAPK1

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

“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.