SCHEMBL4100548

SCHEMBL4100548

COc1ccc(Cc2ncnc3ccc(-c4ccc(F)cc4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.45
APP P05067 1/20 0.43
MAP4K4 O95819 4/20 0.42
MAPT P10636 3/20 0.41
LTA4H P09960 1/20 0.41
GRM2 Q14416 1/20 0.41
ACP1 P24666 1/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL4103529 0.90 MAP4K4 (0.44) MAP4K4MKNK2
SCHEMBL4105799 0.87 RET (0.43) METAPPMAP4K4MAPTLTA4H
SCHEMBL4106486 0.87 MAP4K4 (0.52) APPMAP4K4MAPTLTA4HALDH1A1
SCHEMBL4109818 0.84 MGAM (0.42) METMAP4K4MKNK2
SCHEMBL4110159 0.84 MAPT (0.43) MAP4K4MAPTTP53ALDH1A1SMN1; SMN2
SCHEMBL4112126 0.84 MKNK2 (0.45) MAP4K4TP53SMN1; SMN2MKNK2
SCHEMBL4103159 0.83 LTA4H (0.45) METAPPMAPTLTA4HGRM2
SCHEMBL4102962 0.82 MAP4K4 (0.46) APPMAP4K4ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4103655 0.81 MAP4K4 (0.42) MAP4K4MAPTLTA4HTP53ALDH1A1
SCHEMBL4105798 0.79 MAP4K4 (0.53) MAP4K4MKNK2

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 MET 3112/4885APP 2339/4885MAP4K4 2166/4885

“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.