SCHEMBL5116817

SCHEMBL5116817

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(C(=O)NC5CC5)cc4)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 2/20 0.39
HPGD P15428 1/20 0.39
CA1 P00915 8/20 0.38
CA2 P00918 8/20 0.38
CA9 Q16790 6/20 0.38
VCP P55072 1/20 0.38
ALDH1A1 P00352 1/20 0.38
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
TTK P33981 2/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5112869 0.90 AXL (0.45) PTGS2CTNNB1TCF7L2HPGDCA1
SCHEMBL5121961 0.88 PTGS2 (0.46) PTGS2CA1CA2CA9CA12
SCHEMBL4411430 0.88 PTGS2 (0.41) PTGS2HPGDCA1CA2CA9
SCHEMBL5107941 0.88 HPGD (0.41) CTNNB1TCF7L2HPGDCA1CA2
SCHEMBL4356116 0.87 CTNNB1 (0.48) PTGS2CTNNB1TCF7L2HPGDCA1
SCHEMBL5121534 0.85 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL5114257 0.85 HPGD (0.41) PTGS2HPGDCA1CA2CA9
SCHEMBL14131750 0.84 PTGS2 (0.39) PTGS2CA1CA2CA9VCP
SCHEMBL5112341 0.84 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL5121965 0.84 PTGS2 (0.48) PTGS2CA1CA2CA9CA12

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 6 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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
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
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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 PTGS2 1073/4885CTNNB1 1384/4885TCF7L2 3616/4885

“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.