SCHEMBL5111068

SCHEMBL5111068

Nc1ccc(-c2ccc3nc(NCc4ccc(S(N)(=O)=O)cc4)nc(NC4CC4)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.46
CA2 P00918 12/20 0.46
CA9 Q16790 12/20 0.46
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PTGS2 P35354 1/20 0.42
GHSR Q92847 1/20 0.41
SYK P43405 1/20 0.41
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
IKBKB O14920 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
VCP P55072 1/20 0.39

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
SCHEMBL5107326 0.92 PTGS2 (0.43) CA1CA2CA9CA12CA14
SCHEMBL5111065 0.89 SYK (0.44) CA1CA2CA9CA12CA14
SCHEMBL5112869 0.88 AXL (0.45) CA1CA2CA9CA12CA14
SCHEMBL14131409 0.85 SYK (0.40) CA1CA2CA9CA12CA14
SCHEMBL5115282 0.85 AXL (0.43) CA1CA2CA9CA12CA14
SCHEMBL5123251 0.83 SYK (0.39) CA1CA2CA9CA12CA14
SCHEMBL14131703 0.83 SYK (0.39) CA1CA2CA9CA12CA14
SCHEMBL5121965 0.83 PTGS2 (0.48) CA1CA2CA9CA12CA14
SCHEMBL5122100 0.82 CA1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL5113153 0.82 PTGS2 (0.38) CA1CA2CA9CA12CA14

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 2 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-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 CA1 4802/4885CA2 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.