SCHEMBL4095676

SCHEMBL4095676

CCCc1nc(N)nc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.51
TLR7 Q9NYK1 2/20 0.51
MKNK1 Q9BUB5 4/20 0.49
MKNK2 Q9HBH9 4/20 0.49
HPGD P15428 2/20 0.47
KCNH2 Q12809 1/20 0.42
ATR Q13535 2/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
NR3C1 P04150 2/20 0.40
PGR P06401 2/20 0.40
HDAC4 P56524 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
EIF4E P06730 1/20 0.40

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
SCHEMBL4107879 0.89 ATR (0.45) TLR8TLR7MKNK1MKNK2HPGD
SCHEMBL4112651 0.88 MKNK2 (0.50) MKNK1MKNK2KCNH2ATR
SCHEMBL4106229 0.85 MKNK2 (0.51) TLR8TLR7MKNK1MKNK2HPGD
SCHEMBL4103232 0.83 MAPT (0.47) HPGDKDR
SCHEMBL4097666 0.81 TLR8 (0.43) TLR8TLR7
SCHEMBL4107243 0.80 MKNK2 (0.54) TLR8TLR7MKNK1MKNK2HPGD
SCHEMBL4112655 0.79 ADORA2A (0.52) MKNK1MKNK2HPGDATR
SCHEMBL4109882 0.78 TLR8 (0.48) TLR8TLR7HPGD
SCHEMBL4103588 0.78 DHFR (0.41) MKNK1MKNK2
SCHEMBL4102240 0.77 DHFR (0.41) MKNK2

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 3 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 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 936/4885TLR7 503/4885MKNK1 3562/4885

“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.