SCHEMBL1790384

SCHEMBL1790384

NS(=O)(=O)c1cc(F)cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)nc4)ccc3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.35
PTGS2 P35354 4/20 0.34
TRPA1 O75762 4/20 0.33
MAP4K4 O95819 7/20 0.33
PTK2 Q05397 1/20 0.32
NTRK3 Q16288 1/20 0.32
NTRK2 Q16620 1/20 0.32
PTGS1 P23219 1/20 0.31
MAPK1 P28482 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
SCHEMBL1790389 0.92 NTRK1 (0.34) NTRK1PTGS2TRPA1PTK2MAPK1
SCHEMBL1791780 0.92 PTGS2 (0.38) NTRK1PTGS2TRPA1MAP4K4PTGS1
SCHEMBL1792126 0.91 PTGS2 (0.41) NTRK1PTGS2
SCHEMBL1789219 0.90 PTGS2 (0.31) PTGS2TRPA1MAP4K4PTGS1MAPK1
SCHEMBL1792271 0.85 PTGS2 (0.34) NTRK1PTGS2PTK2PTGS1MAPK1
SCHEMBL1792081 0.85 TP53 (0.39) NTRK1PTGS2TRPA1PTGS1MAPK1
SCHEMBL1789942 0.85 PTGS2 (0.39) PTGS2TRPA1PTGS1
SCHEMBL1789966 0.85 PTGS2 (0.39) PTGS2TRPA1PTGS1
SCHEMBL12652103 0.84 MAPK1 (0.34) NTRK1PTGS2PTK2MAPK1
SCHEMBL1790070 0.83 NTRK1 (0.40) NTRK1PTGS2PTK2PTGS1

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 9 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
WO-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO 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 NTRK1 4157/4885PTGS2 491/4885TRPA1 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.