SCHEMBL5116355

SCHEMBL5116355

CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(F)c(Cl)c3)nc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.48
CA2 P00918 14/20 0.48
CA9 Q16790 14/20 0.48
CA12 O43570 2/20 0.43
CA14 Q9ULX7 2/20 0.43
MAP3K8 P41279 1/20 0.42
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 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
SCHEMBL5115661 0.91 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL5120912 0.91 CA1 (0.49) CA1CA2CA9CA12CA14
SCHEMBL5116008 0.89 MAPT (0.41) PTGS2PTGS1MEN1KMT2A
SCHEMBL5108985 0.88 CA1 (0.58) CA1CA2CA9CA12CA14
SCHEMBL5114812 0.88 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5115054 0.88 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5122827 0.85 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5122005 0.84 CA9 (0.41) CA1CA2CA9CA12CA14
SCHEMBL14131693 0.84 CA1 (0.43) CA1CA2CA9CA12CA14
SCHEMBL14131873 0.84 CA1 (0.55) 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 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 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.