SCHEMBL5114701

SCHEMBL5114701

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc(-c3ccc4nc(NCc5ccc(S(N)(=O)=O)cc5)nc(NCC(F)(F)F)c4n3)ccc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.43
SFRP1 Q8N474 4/20 0.38
RORC P51449 1/20 0.36
SCN9A Q15858 1/20 0.36
EEF2K O00418 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
NEK4 P51957 1/20 0.36
PRKG2 Q13237 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
AURKB Q96GD4 1/20 0.36
PBK Q96KB5 1/20 0.36
SLK Q9H2G2 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAP3K20 Q9NYL2 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
SCHEMBL14131915 1.00 DNMT3A (0.43) DNMT3ASFRP1RORCSCN9AEEF2K
SCHEMBL5115386 0.96 DNMT3A (0.46) DNMT3ASFRP1RORCEEF2KROCK2
SCHEMBL5115921 0.90 DNMT3A (0.44) DNMT3ASFRP1RORCEEF2KROCK2
SCHEMBL5121181 0.86 DNMT3A (0.41) DNMT3ARORCEEF2KROCK2MAP4K4
SCHEMBL5123216 0.84 PTGS2 (0.38) SFRP1BRD4
SCHEMBL14131434 0.82 PTGS2 (0.37)
SCHEMBL5111605 0.82 PTGS2 (0.37)
SCHEMBL5116059 0.80 PTGS2 (0.45)
SCHEMBL5122864 0.80 NAMPT (0.40) DNMT3ASCN9AEEF2KROCK2MAP4K4
SCHEMBL5123047 0.79 KDM4E (0.39) BRD4PIK3CD

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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP DNMT3A 2770/4885SFRP1 1987/4885RORC 353/4885

“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.