SCHEMBL4097702

SCHEMBL4097702

CCCc1nc(N)nc2ccc(-c3ccccc3C#N)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.42
TLR7 Q9NYK1 4/20 0.42
ADORA2A P29274 3/20 0.38
ADORA1 P30542 2/20 0.38
PPARG P37231 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 1/20 0.36
DHFR P00374 2/20 0.34
ATR Q13535 2/20 0.33
PRKDC P78527 1/20 0.33
ATM Q13315 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL4112683 0.83 MPO (0.42) TLR8TLR7ADORA2AADORA1DHFR
SCHEMBL4102014 0.81 MAOB (0.44) ADORA2AADORA1DHFRPTPN1
SCHEMBL4097695 0.81 TLR8 (0.41) TLR8ADORA2ADHFRATM
SCHEMBL4102859 0.81 CHRNA7 (0.40) TLR8TLR7DHFRATRPTPN1
SCHEMBL4096296 0.80 DHFR (0.36) TLR8TLR7DHFRATR
SCHEMBL4105834 0.80 DHFR (0.34) TLR8TLR7DHFR
SCHEMBL4095764 0.78 MEN1 (0.40) TLR8TLR7DHFRPTPN1
SCHEMBL4102763 0.78 TLR8 (0.43) TLR8TLR7L3MBTL1GAADHFR
SCHEMBL4101899 0.78 ALOX5AP (0.36) TLR8TLR7DHFR
SCHEMBL4097587 0.77 CTSS (0.51) TLR8TLR7ADORA2AADORA1

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 6 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
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.