SCHEMBL1789966

SCHEMBL1789966

NS(=O)(=O)c1cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.39
PTGS1 P23219 3/20 0.39
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.35
ADORA2A P29274 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 4/20 0.33
PIN1 Q13526 2/20 0.33

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
SCHEMBL1791780 0.93 PTGS2 (0.38) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1792081 0.91 TP53 (0.39) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1789942 0.91 PTGS2 (0.39) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1790070 0.89 NTRK1 (0.40) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1789116 0.89 PTGS2 (0.45) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1791135 0.89 PTGS2 (0.35) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL1791315 0.88 TRPA1 (0.31) PTGS2TRPA1PIN1
SCHEMBL1791974 0.87 RPS6KB1 (0.34) PTGS2TRPA1PIN1
SCHEMBL1791995 0.86 PTGS2 (0.41) PTGS2PTGS1TP53SMN1; SMN2MAPT
SCHEMBL12611595 0.86 TP53 (0.37) PTGS2PTGS1TP53SMN1; SMN2MAPT

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 598/4885TP53 871/4885

“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.