SCHEMBL5115285

SCHEMBL5115285

NS(=O)(=O)c1ccc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(Cl)cc4)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
CA2 P00918 12/20 0.47
CA9 Q16790 12/20 0.47
CA1 P00915 11/20 0.47
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MRGPRX1 Q96LB2 1/20 0.45
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
ADORA2A P29274 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA4 P22748 2/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
IKBKB O14920 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL5121965 0.92 PTGS2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL5112341 0.92 PTGS2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL1791314 0.91 PTGS2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL5121534 0.91 PTGS2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL5112750 0.90 PTGS2 (0.44) PTGS2CA2CA9CA1CA12
SCHEMBL5116201 0.89 PTGS2 (0.44) PTGS2CA2CA9CA1CA12
SCHEMBL5121961 0.88 PTGS2 (0.46) PTGS2CA2CA9CA1CA12
SCHEMBL5115482 0.88 PTGS2 (0.46) PTGS2CA2CA9CA1CA12
SCHEMBL5116059 0.88 PTGS2 (0.45) PTGS2CA2CA9CA1CA12
SCHEMBL5123142 0.87 PTGS2 (0.44) 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-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PTGS2 1073/4885CA2 4444/4885CA9 4708/4885

“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.