SCHEMBL4096527

SCHEMBL4096527

CCCc1nc(N)nc2ccc(-c3cccnc3OC)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 3/20 0.38
PDE1A P54750 3/20 0.38
PDE1B Q01064 3/20 0.38
PDE1C Q14123 3/20 0.38
MTOR P42345 1/20 0.37
PDE2A O00408 2/20 0.36
PDE10A Q9Y233 2/20 0.36
DHFR P00374 1/20 0.35
PDPK1 O15530 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 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
SCHEMBL4106788 0.91 PDE1B (0.47) TLR8TLR7PDE1APDE1BPDE1C
SCHEMBL4107030 0.84 CHRNA7 (0.44) CHRNA7HRH4TLR8TLR7PDE1A
SCHEMBL4107650 0.84 HTR2A (0.43) TLR8TLR7DHFRPDPK1
SCHEMBL4102233 0.83 PDE10A (0.36) PDE2APDE10ADHFRALOX5AP
SCHEMBL4101671 0.78 CHRNA7 (0.44) CHRNA7HRH4MTORPDE2APDE10A
SCHEMBL4103392 0.78 TGFBR1 (0.40) TLR8TLR7DHFRPDPK1
SCHEMBL4102153 0.77 PDE1B (0.44) TLR8TLR7PDE1APDE1BPDE1C
SCHEMBL4102859 0.76 CHRNA7 (0.40) CHRNA7TLR8TLR7DHFR
SCHEMBL4097695 0.76 TLR8 (0.41) TLR8DHFR
SCHEMBL4101913 0.76 TLR8 (0.47) TLR8TLR7

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
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
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD CHRNA7 3872/4885HRH4 1129/4885TLR8 936/4885

“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.