SCHEMBL4112683

SCHEMBL4112683

N#Cc1ccccc1-c1ccc2nc(N)nc(Cc3ccccc3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
DHFR P00374 5/20 0.37
ADORA2A P29274 4/20 0.36
ADORA1 P30542 2/20 0.36
LTB4R Q15722 1/20 0.36
ATR Q13535 2/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHUK O15111 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 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
SCHEMBL4097702 0.83 TLR8 (0.42) TLR8TLR7DHFRADORA2AADORA1
SCHEMBL4108022 0.81 MAOB (0.44) MPOTLR8TLR7DHFR
SCHEMBL4115816 0.81 GHSR (0.44) MPOTLR8TLR7DHFRADORA2A
SCHEMBL4107954 0.81 MPO (0.47) MPOTLR8TLR7DHFRADORA2A
SCHEMBL4110107 0.81 MPO (0.44) MPOTLR8TLR7DHFRLTB4R
SCHEMBL4102866 0.80 MPO (0.43) MPOTLR8TLR7DHFRLTB4R
SCHEMBL4107477 0.79 ADORA2A (0.49) ADORA2AADORA1ATRCHUK
SCHEMBL4101127 0.79 MPO (0.42) MPOTLR8TLR7DHFRLTB4R
SCHEMBL4108007 0.78 MPO (0.40) MPOTLR8TLR7DHFRMEN1
SCHEMBL4114812 0.78 ADORA2A (0.51) MPOTLR8TLR7ADORA2AADORA1

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 MPO 2952/4885TLR8 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.