SCHEMBL5115482

SCHEMBL5115482

N#Cc1ccc(-c2ccc3nc(NCc4ccc(S(N)(=O)=O)cc4)nc(NCC(F)(F)F)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
IKBKB O14920 1/20 0.43
CA1 P00915 14/20 0.42
CA2 P00918 14/20 0.42
CA9 Q16790 12/20 0.42
CA12 O43570 4/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 2/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL5108170 0.90 PTGS2 (0.41) PTGS2CA1CA2CA9CA12
SCHEMBL5121965 0.89 PTGS2 (0.48) PTGS2IKBKBCA1CA2CA9
SCHEMBL5112341 0.89 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL5115285 0.88 PTGS2 (0.48) PTGS2IKBKBCA1CA2CA9
SCHEMBL1791314 0.88 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL5121534 0.88 PTGS2 (0.48) PTGS2CA1CA2CA9CA12
SCHEMBL5116292 0.86 PTGS2 (0.41) PTGS2IKBKBCA1CA2CA9
SCHEMBL5121961 0.86 PTGS2 (0.46) PTGS2CA1CA2CA9CA12
SCHEMBL1791038 0.86 PTGS2 (0.38) PTGS2IKBKBCA1CA2CA9
SCHEMBL5123142 0.85 PTGS2 (0.44) PTGS2CA1CA2CA9CA12

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 1073/4885IKBKB 2586/4885CA1 4802/4885

“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.