SCHEMBL5120901

SCHEMBL5120901

CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(NS(=O)(=O)C4CC4)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.49
CA2 P00918 14/20 0.49
CA9 Q16790 14/20 0.49
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
CDK2 P24941 4/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
CDK5 Q00535 1/20 0.40
CCNA2 P20248 2/20 0.39
CCNA1 P78396 2/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PTGS2 P35354 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
SCHEMBL14131394 0.91 CA1 (0.46) CA1CA2CA9CDK2CCNT1
SCHEMBL5108985 0.89 CA1 (0.58) CA1CA2CA9CDK2CCNA2
SCHEMBL14131693 0.88 CA1 (0.43) CA1CA2CA9CDK2CA12
SCHEMBL5115054 0.84 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5114812 0.84 CA2 (0.53) CA1CA2CA9CA12CA14
SCHEMBL14131873 0.84 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL5123242 0.84 CA2 (0.44) CA1CA2CA9CA12CA14
SCHEMBL5111866 0.84 CA2 (0.49) CA1CA2CA9CDK2CCNA2
SCHEMBL5122185 0.84 CA1 (0.53) CA1CA2CA9MAPK8CA12
SCHEMBL5115205 0.82 CA2 (0.46) CA1CA2CA9MAPK8CDK2

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.