SCHEMBL1789116

SCHEMBL1789116

NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
PTGS1 P23219 1/20 0.44
CA2 P00918 12/20 0.41
CA9 Q16790 12/20 0.41
CA1 P00915 11/20 0.41
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 3/20 0.38
ADORA2A P29274 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1792764 0.97 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL1793830 0.97 PTGS2 (0.44) PTGS2PTGS1CA2CA9CA1
SCHEMBL1791571 0.96 PTGS2 (0.43) PTGS2PTGS1CA2CA9CA1
SCHEMBL1792126 0.91 PTGS2 (0.41) PTGS2CA2CA9CA1CA12
SCHEMBL1791780 0.91 PTGS2 (0.38) PTGS2PTGS1CA2CA9MAPT
SCHEMBL1790070 0.90 NTRK1 (0.40) PTGS2PTGS1CA2CA9MAPT
SCHEMBL1792081 0.89 TP53 (0.39) PTGS2PTGS1CA2CA9CA1
SCHEMBL1789966 0.89 PTGS2 (0.39) PTGS2PTGS1MAPTTP53ADORA2A
SCHEMBL1789942 0.89 PTGS2 (0.39) PTGS2PTGS1CA2CA9CA1
SCHEMBL1791453 0.89 PTGS2 (0.42) PTGS2CA2CA9CA1CA12

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-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US claimed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US claimed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-8536187-B2 2,4,6-trisubstituted pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2013-09-17 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 US disclosed
US-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2011-05-26 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-20110123493-A1 2,4,6-TRISUBSTITUTED PYRIDO(3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, CYP2S1, DPYD PTGS2 491/4885PTGS1 598/4885CA2 3079/4885

“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.