SCHEMBL4101142

SCHEMBL4101142

CCCc1nc(N)nc2ccc(-c3cccc(C(N)=O)c3)nc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 9/20 0.44
PIK3CA P42336 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
DHFR P00374 5/20 0.40
PGK1 P00558 1/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE11A Q9HCR9 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LDHB P07195 1/20 0.37

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
SCHEMBL4847011 0.96 MAP4K4 (0.41) MAP4K4PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4097042 0.88 MAP4K4 (0.43) MAP4K4DHFRTLR8TLR7
SCHEMBL4095683 0.88 DHFR (0.51) MAP4K4DHFRTLR8TLR7
SCHEMBL4097666 0.87 TLR8 (0.43) MAP4K4DHFRTLR8TLR7
SCHEMBL4101378 0.87 NPC1 (0.44) MAP4K4DHFRPDE2A
SCHEMBL4107035 0.87 HPGD (0.46) MAP4K4PIK3CA
SCHEMBL4112827 0.85 MAP4K4 (0.41) MAP4K4DHFRCTSSCTSKTLR8
SCHEMBL4104866 0.84 MAP4K4 (0.62) MAP4K4
SCHEMBL4104622 0.84 MAP4K4 (0.40) MAP4K4DHFRCTSSCTSK
SCHEMBL4108257 0.84 MAP4K4 (0.56) MAP4K4

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-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US claimed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAP4K4 2166/4885PIK3CA 588/4885MAPK8 3420/4885

“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.