SCHEMBL4101906

SCHEMBL4101906

COc1cccc(Cc2nc(N)nc3ccc(Cl)nc23)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.54
TLR8 Q9NR97 1/20 0.52
TLR7 Q9NYK1 1/20 0.52
ADCY10 Q96PN6 1/20 0.49
LTB4R Q15722 1/20 0.46
SLC2A1 P11166 1/20 0.46
APP P05067 1/20 0.46
HTR6 P50406 1/20 0.43
LTA4H P09960 1/20 0.42
MPO P05164 1/20 0.42
ADORA1 P30542 1/20 0.41
ADORA2A P29274 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 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
SCHEMBL4115396 0.85 DHFR (0.50) DHFRTLR8TLR7APP
SCHEMBL4106480 0.84 TLR8 (0.48) DHFRTLR8TLR7ADCY10SLC2A1
SCHEMBL4107224 0.84 MAP4K4 (0.45) DHFRADCY10APPHTR6MPO
SCHEMBL4107697 0.81 TLR8 (0.47) TLR8TLR7ADCY10SLC2A1APP
SCHEMBL4102709 0.81 APP (0.43) DHFRTLR8TLR7APPMPO
SCHEMBL4115070 0.81 MPO (0.51) DHFRTLR8TLR7ADCY10LTB4R
SCHEMBL4105775 0.80 DHFR (0.48) DHFRTLR8TLR7ADCY10LTB4R
SCHEMBL4114040 0.78 MAP4K4 (0.54) DHFRTLR8TLR7LTB4RAPP
SCHEMBL7077172 0.76 PIN1 (0.52) DHFRTLR8TLR7ADCY10LTB4R
SCHEMBL4106925 0.76 DHFR (0.47) DHFRTLR8TLR7APPHTR6

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 DHFR 145/4885TLR8 936/4885TLR7 503/4885

“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.