SCHEMBL823711

SCHEMBL823711

CCOc1nc(N)nc2ccc(-c3ccc(NS(=O)(=O)CC)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
SGK1 O00141 4/20 0.39
BRAF P15056 2/20 0.39
MAPT P10636 4/20 0.39
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 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
SCHEMBL823709 0.93 DHFR (0.43) ALDH1A1HPGDTP53KDM4ESGK1
SCHEMBL823645 0.87 DHFR (0.48) ALDH1A1THRBHPGDTP53RXFP1
SCHEMBL4558379 0.85 MAPT (0.42) ALDH1A1NPC1RAB9AMAPTJAK2
SCHEMBL4524117 0.83 PTGS2 (0.43) ALDH1A1NPC1RAB9ADYRK3PRKD2
SCHEMBL4522465 0.82 MEN1 (0.46) ALDH1A1HPGDRXFP1KDM4EGAA
SCHEMBL823714 0.82 MAPT (0.40) ALDH1A1HPGDTP53KDM4ENPC1
SCHEMBL823749 0.81 NPC1 (0.45) ALDH1A1HPGDKDM4ENPC1GAA
SCHEMBL823755 0.81 PDE4A (0.41) ALDH1A1HPGDTP53RXFP1KDM4E
SCHEMBL4533754 0.81 MAPK10 (0.40) ALDH1A1HPGDTP53KDM4ENPC1
SCHEMBL4513221 0.81 RXFP1 (0.43) ALDH1A1HPGDTP53RXFP1KDM4E

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-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP ALDH1A1 1484/4885THRB 2719/4885HPGD 1119/4885

“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.