SCHEMBL5116007

SCHEMBL5116007

CCOc1nc(NCc2ccc(S(N)(=O)=O)cc2)nc2ccc(-c3ccc(C(=O)NC(C)(C)CN4CCCC4)cc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.41
CA2 P00918 13/20 0.41
CA9 Q16790 12/20 0.41
HDAC4 P56524 1/20 0.40
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CSF1R P07333 2/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPK1 P28482 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CSNK1D P48730 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL5116196 0.90 HDAC4 (0.44) HDAC4
SCHEMBL5123205 0.85 HDAC4 (0.43) CA1CA2CA9HDAC4CA12
SCHEMBL5116013 0.85 CA1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL5117265 0.84 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL5121639 0.84 MAP4K4 (0.43) HDAC4
SCHEMBL5122185 0.82 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL5122180 0.82 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL5108985 0.82 CA1 (0.58) CA1CA2CA9CA12CA14
SCHEMBL5112675 0.81 TYK2 (0.50) CA1CA2CA9CA12CA14
SCHEMBL14131389 0.81 CA1 (0.41) 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.