SCHEMBL4115802

SCHEMBL4115802

Nc1nc(Cc2ccccc2F)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ADORA2A P29274 2/20 0.40
DHFR P00374 3/20 0.39
MAP4K4 O95819 1/20 0.36
DCPS Q96C86 1/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADCY10 Q96PN6 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.36
MPO P05164 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA2B P29275 1/20 0.34
ADORA1 P30542 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
SCHEMBL4103515 0.89 ADORA2A (0.39) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL4095553 0.88 TP53 (0.44) ADORA2ADHFRMAP4K4DCPSADCY10
SCHEMBL4107022 0.88 LTA4H (0.43) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL4105755 0.86 DHFR (0.47) TLR8TLR7DHFRADCY10HTR6
SCHEMBL4105813 0.85 MPO (0.45) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL4108435 0.83 DHFR (0.46) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL4095287 0.81 MAP4K4 (0.43) MAP4K4RAB9AMEN1KMT2A
SCHEMBL4107793 0.80 TLR8 (0.46) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL4100785 0.80 TLR8 (0.45) TLR8TLR7ADORA2ADHFRMAP4K4
SCHEMBL3600529 0.79 DHFR (0.44) TLR8TLR7ADORA2ADHFRMAP4K4

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 503/4885ADORA2A 165/4885

“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.