SCHEMBL4100785

SCHEMBL4100785

Nc1nc(Cc2cccc(F)c2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAP4K4 O95819 4/20 0.43
SLC2A1 P11166 1/20 0.41
APP P05067 1/20 0.40
ADCY10 Q96PN6 2/20 0.39
DHFR P00374 1/20 0.38
MPO P05164 2/20 0.38
HTR6 P50406 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA2A P29274 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL4108374 0.90 MAP4K4 (0.52) TLR8TLR7MAP4K4APPADCY10
SCHEMBL4102287 0.90 MAP4K4 (0.39) TLR8TLR7MAP4K4APPDHFR
SCHEMBL4103595 0.90 LTA4H (0.45) TLR8TLR7MAP4K4SLC2A1APP
SCHEMBL4105813 0.89 MPO (0.45) TLR8TLR7MAP4K4APPDHFR
SCHEMBL4108435 0.87 DHFR (0.46) TLR8TLR7MAP4K4APPADCY10
SCHEMBL4105775 0.87 DHFR (0.48) TLR8TLR7MAP4K4SLC2A1APP
SCHEMBL4102044 0.82 MAPT (0.42) TLR8TLR7MAP4K4ADCY10DHFR
SCHEMBL4105798 0.82 MAP4K4 (0.53) MAP4K4
SCHEMBL4096925 0.82 TP53 (0.42) TLR8TLR7APPDHFRKDM4E
SCHEMBL4112121 0.82 DHFR (0.41) TLR8TLR7MAP4K4APPDHFR

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-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
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 503/4885MAP4K4 2166/4885

“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.