SCHEMBL5114436

SCHEMBL5114436

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
CA2 P00918 14/20 0.43
CA9 Q16790 13/20 0.43
CA1 P00915 13/20 0.43
PTGS1 P23219 1/20 0.43
CA12 O43570 3/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.39

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
SCHEMBL5115264 0.89 CA2 (0.55) PTGS2KDM4ENPC1MAPTCA2
SCHEMBL5112341 0.87 PTGS2 (0.48) PTGS2KDM4ENPC1MAPTCA2
SCHEMBL5112682 0.87 CA2 (0.44) PTGS2KDM4ENPC1MAPTCA2
SCHEMBL5121996 0.85 PTGS2 (0.46) PTGS2KDM4ENPC1MAPTCA2
SCHEMBL5107326 0.84 PTGS2 (0.43) PTGS2CA2CA9CA1PTGS1
SCHEMBL4573208 0.83 PTGS2 (0.48) PTGS2CA2CA9CA1PTGS1
SCHEMBL4585163 0.83 CA2 (0.52) PTGS2MAPTCA2CA9CA1
SCHEMBL5107872 0.82 NTRK1 (0.47) PTGS2MAPTCA2CA9CA1
SCHEMBL1789116 0.81 PTGS2 (0.45) PTGS2KDM4ENPC1MAPTCA2
SCHEMBL5115650 0.81 PTGS2 (0.41) PTGS2KDM4ENPC1MAPTCA2

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 1073/4885KDM4E 3976/4885NPC1 2244/4885

“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.