SCHEMBL5114559

SCHEMBL5114559

CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(NC(=O)[C@@H](N)CO)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.45
CA9 Q16790 13/20 0.45
CA1 P00915 11/20 0.45
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CCNA1 P78396 2/20 0.39
CA4 P22748 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS2 P35354 1/20 0.38
IKBKB O14920 2/20 0.38
CA7 P43166 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
SCHEMBL5114562 1.00 CA2 (0.45) CA2CA9CA1CA12CA14
SCHEMBL5123816 0.92 CA2 (0.46) CA2CA9CA1CA12CA14
SCHEMBL14131746 0.92 CA2 (0.46) CA2CA9CA1CA12CA14
SCHEMBL5114470 0.91 CA2 (0.45) CA2CA9CA1CA12CA14
SCHEMBL14131663 0.91 CA2 (0.45) CA2CA9CA1CA12CA14
SCHEMBL14131649 0.91 CA2 (0.45) CA2CA9CA1CA12CA14
SCHEMBL5111866 0.89 CA2 (0.49) CA2CA9CA1CA12CA14
SCHEMBL5108985 0.87 CA1 (0.58) CA2CA9CA1CA12CA14
SCHEMBL5122249 0.86 CA2 (0.47) CA2CA9CA1CA12CA14
SCHEMBL5115205 0.85 CA2 (0.46) CA2CA9CA1CA12CA14

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 CA2 4444/4885CA9 4708/4885CA1 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.