SCHEMBL5122005

SCHEMBL5122005

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 5/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
SGK1 O00141 7/20 0.39
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
MAPT P10636 2/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
TP53 P04637 1/20 0.35
ADORA2A P29274 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL5120912 0.94 CA1 (0.49) CA9CA1CA2PTGS2CA12
SCHEMBL5115054 0.87 CA2 (0.53) CA9CA1CA2PTGS2PTGS1
SCHEMBL5114812 0.87 CA2 (0.53) CA9CA1CA2PTGS2PTGS1
SCHEMBL5122787 0.86 CA2 (0.45) CA9CA1CA2PTGS2PTGS1
SCHEMBL5108200 0.85 CA1 (0.41) CA9CA1CA2SGK1PTGS2
SCHEMBL5123850 0.85 MAPT (0.43) PTGS2PTGS1MAPTEGFRERBB2
SCHEMBL5116355 0.84 CA1 (0.48) CA9CA1CA2PTGS2PTGS1
SCHEMBL5110245 0.84 MAPT (0.38) PTGS2PTGS1MAPTEGFRERBB2
SCHEMBL5116008 0.84 MAPT (0.41) PTGS2PTGS1MAPTEGFRERBB2
SCHEMBL5111887 0.83 MAPT (0.39) SGK1PTGS2PTGS1MAPTEGFR

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 7 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
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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 CA9 4708/4885CA1 4802/4885CA2 4444/4885

“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.