SCHEMBL823804

SCHEMBL823804

CCOc1nc(N)nc2ccc(-c3ccc(NC(=O)[C@H](C)N)c(F)c3)nc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.38
CTPS1 P17812 4/20 0.36
POLB P06746 1/20 0.36
MAP4K4 O95819 3/20 0.36
ROCK1 Q13464 1/20 0.35
MYLK4 Q86YV6 1/20 0.35
MELK Q14680 1/20 0.35
HPSE Q9Y251 1/20 0.35
DHODH Q02127 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL826214 1.00 TRPV1 (0.38) TRPV1CTPS1POLBMAP4K4ROCK1
SCHEMBL823745 0.88 PDE4A (0.41) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL826258 0.88 PDE4A (0.41) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL826077 0.85 TAAR1 (0.43) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL823751 0.85 TAAR1 (0.43) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL823737 0.84 PDE4A (0.34) TRPV1CTPS1MAP4K4HPSEPDE4A
SCHEMBL4526798 0.80 MAP4K4 (0.41) POLBMAP4K4
SCHEMBL4412814 0.80 MET (0.40) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL4412818 0.79 MAP4K4 (0.38) POLBMAP4K4
SCHEMBL4513145 0.77 MAP4K4 (0.42) MAP4K4PDE4APDE4BPDE4CPDE4D

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 5 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-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 TRPV1 4523/4885CTPS1 29/4885POLB 387/4885

“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.