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SCHEMBL1790682

SCHEMBL1790682

NS(=O)(=O)c1ccc(Cl)c(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ TRPA1 O75762 4/20 0.35
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NTRK1 P04629 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL1792768 0.94 PTGS2 (0.35) PTGS2PTGS1TRPA1TP53MAPT
SCHEMBL1790824 0.91 PTGS2 (0.37) PTGS2PTGS1TRPA1TP53MAPT
SCHEMBL13520283 0.91 PTGS2 (0.35) PTGS2PTGS1TRPA1TP53MAPT
SCHEMBL1793484 0.90 PTGS2 (0.37) PTGS2PTGS1TRPA1TP53NTRK1
SCHEMBL1793820 0.90 PTGS2 (0.37) PTGS2PTGS1TRPA1TP53MAPT
SCHEMBL1790878 0.89 PTGS2 (0.35) PTGS2PTGS1TRPA1MAPTCA2
SCHEMBL1793588 0.88 CA2 (0.35) PTGS2PTGS1TRPA1CA2CA9
SCHEMBL1789116 0.88 PTGS2 (0.45) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1792120 0.87 TP53 (0.37) PTGS2PTGS1TP53MAPTADORA2A
SCHEMBL1792081 0.87 TP53 (0.39) PTGS2PTGS1TRPA1TP53MAPT

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 8 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-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
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 598/4885TRPA1 2444/4885

“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.