SCHEMBL4856947

SCHEMBL4856947

O=C1CN(Cc2ccnc(OCCN3CCCC3)c2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
MCHR1 Q99705 8/20 0.40
KCNH2 Q12809 6/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ESR1 P03372 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
ABL1 P00519 1/20 0.36
LTA4H P09960 3/20 0.36
IGF1R P08069 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2940343 0.85 IGF1R (0.49) PPARDPPARAIGF1R
SCHEMBL2936573 0.84 PPARD (0.44) PPARDPPARAIGF1R
SCHEMBL2938586 0.83 ENPP2 (0.43) MCHR1PPARDPPARAIGF1R
SCHEMBL3733356 0.82 TLR7 (0.43) TLR7MCHR1KCNH2ESR1ABL1
SCHEMBL2942830 0.82 IGF1R (0.45) TLR7MCHR1KCNH2ESR1ABL1
SCHEMBL3728670 0.82 IGF1R (0.57) TLR7IGF1R
SCHEMBL2935236 0.82 CCR6 (0.42) MCHR1PPARDPPARAHRH3ABL1
SCHEMBL2941311 0.82 ENPP2 (0.43) PPARDPPARAIGF1R
SCHEMBL2931615 0.81 PPARD (0.44) PPARDPPARAIGF1R
SCHEMBL2938459 0.81 ENPP2 (0.42) KCNH2PPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA TLR7 4145/4885MCHR1 4236/4885KCNH2 3329/4885

“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.