SCHEMBL1792126

SCHEMBL1792126

NS(=O)(=O)c1ccc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)nc4)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA9 Q16790 12/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NTRK1 P04629 1/20 0.35
IKBKE Q14164 2/20 0.35
TBK1 Q9UHD2 2/20 0.35
STK17B O94768 1/20 0.35
CSF1R P07333 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ULK3 Q6PHR2 1/20 0.35
NUAK2 Q9H093 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
PI4KB Q9UBF8 1/20 0.35

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
SCHEMBL1789116 0.91 PTGS2 (0.45) PTGS2CA1CA2CA9KDM4E
SCHEMBL1790384 0.91 NTRK1 (0.35) PTGS2NTRK1
SCHEMBL1790389 0.89 NTRK1 (0.34) PTGS2CA1CA2CA9MAPT
SCHEMBL1792764 0.88 PTGS2 (0.44) PTGS2CA1CA2CA9KDM4E
SCHEMBL1793830 0.88 PTGS2 (0.44) PTGS2CA1CA2CA9KDM4E
SCHEMBL1791571 0.87 PTGS2 (0.43) PTGS2CA1CA2CA9KDM4E
SCHEMBL5123142 0.85 PTGS2 (0.44) PTGS2CA1CA2CA9KDM4E
SCHEMBL1793364 0.85 PTGS2 (0.41) PTGS2CA1CA2CA9KDM4E
SCHEMBL1791453 0.85 PTGS2 (0.42) PTGS2CA1CA2CA9KDM4E
SCHEMBL1790569 0.85 GPR55 (0.34) CA1CA2CA9

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 PTGS2 491/4885CA1 4693/4885CA2 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.