SCHEMBL4103159

SCHEMBL4103159

COc1ccc(Cc2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
DHFR P00374 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
GRM2 Q14416 1/20 0.42
MET P08581 3/20 0.42
APP P05067 1/20 0.42
DYRK1A Q13627 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ACP1 P24666 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4108435 0.91 DHFR (0.46) DHFRALDH1A1TLR8TLR7APP
SCHEMBL4107119 0.88 NOS1 (0.48) LTA4HDHFRALDH1A1CYP2D6ATM
SCHEMBL4096925 0.87 TP53 (0.42) LTA4HDHFRTLR8TLR7MET
SCHEMBL4105775 0.87 DHFR (0.48) LTA4HDHFRTLR8TLR7APP
SCHEMBL4102044 0.85 MAPT (0.42) DHFRALDH1A1CYP2D6TLR8TLR7
SCHEMBL4112121 0.85 DHFR (0.41) DHFRTLR8TLR7METAPP
SCHEMBL4105813 0.84 MPO (0.45) LTA4HDHFRTLR8TLR7APP
SCHEMBL4100548 0.83 MET (0.45) LTA4HALDH1A1GRM2METAPP
SCHEMBL4115112 0.82 ADORA2A (0.51) DHFRALDH1A1DYRK1AMAPTKDM4E
SCHEMBL4105755 0.81 DHFR (0.47) LTA4HDHFRTLR8TLR7

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 LTA4H 1944/4885DHFR 145/4885ALDH1A1 1721/4885

“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.