SCHEMBL4097666

SCHEMBL4097666

CCCc1nc(N)nc2ccc(-c3ccc(C(N)=O)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.43
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
MAP4K4 O95819 1/20 0.38
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 1/20 0.37
CHEK2 O96017 6/20 0.36
MAPK1 P28482 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
DHFR P00374 1/20 0.35
PARP1 P09874 1/20 0.34
MCHR1 Q99705 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
SCHEMBL4847011 0.92 MAP4K4 (0.41) TLR8MAP4K4CHEK2DHFR
SCHEMBL4101142 0.87 MAP4K4 (0.44) TLR8MAP4K4TLR7DHFR
SCHEMBL4109882 0.87 TLR8 (0.48) TLR8NPC1TP53RAB9ASMN1; SMN2
SCHEMBL4103588 0.87 DHFR (0.41) HEXAHEXBNPC1TP53RAB9A
SCHEMBL4110201 0.86 HSP90AA1 (0.46) TLR8NPC1RAB9ASMN1; SMN2DYRK1A
SCHEMBL4102240 0.86 DHFR (0.41) NPC1TP53RAB9ASMN1; SMN2CHEK2
SCHEMBL4100948 0.84 CA12 (0.39) TLR8HEXAHEXBNPC1TP53
SCHEMBL4115522 0.83 TLR8 (0.38) TLR8HEXAHEXBNPC1TP53
SCHEMBL4107576 0.82 TLR7 (0.43) TLR8HEXAHEXBMAP4K4NPC1
SCHEMBL4102279 0.82 KMT2A (0.44) NPC1RAB9ASMN1; SMN2

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 TLR8 936/4885HEXA 837/4885HEXB 595/4885

“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.