SCHEMBL4097586

SCHEMBL4097586

CCCc1nc(N)nc2ccc(-c3ccc4cc(OCc5ccccc5)ccc4c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SRC P12931 2/20 0.40
ABL1 P00519 1/20 0.40
XDH P47989 1/20 0.40
GHSR Q92847 2/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 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
SCHEMBL4109803 0.89 ALOX5 (0.45) ALOX5CYP3A4NPC1RAB9ASRC
SCHEMBL4101904 0.85 CYP1A2 (0.48) KMT2ANPC1RAB9ASRCMAPT
SCHEMBL4108390 0.84 PDE4A (0.46) NPC1RAB9AKDM4EALDH1A1
SCHEMBL4112280 0.83 PTGS1 (0.51) ALOX5CYP3A4NPC1RAB9ASRC
SCHEMBL4112530 0.83 PIK3CA (0.40) GHSRGAA
SCHEMBL4114967 0.81 NPC1 (0.43) NPC1RAB9AXDHMAPTALDH1A1
SCHEMBL4107331 0.79 TLR4 (0.47)
SCHEMBL4107851 0.77 HRH2 (0.51) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL4844962 0.76 MAP4K4 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4107221 0.76 CYP1A1 (0.49) KMT2ANPC1RAB9ASRCMAPT

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-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

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 ALOX5 498/4885CYP3A4 57/4885MEN1 4569/4885

“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.