SCHEMBL823807

SCHEMBL823807

CCCCNC(=O)c1ccc(-c2ccc3nc(N)nc(OCC)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 5/20 0.44
MKNK2 Q9HBH9 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
NAMPT P43490 1/20 0.42
TLR8 Q9NR97 4/20 0.41
TLR7 Q9NYK1 4/20 0.41
BACE1 P56817 1/20 0.41
MAP4K4 O95819 2/20 0.39
ATR Q13535 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL823719 0.88 MAP4K4 (0.52) MKNK1MKNK2ALDH1A1TLR7MAP4K4
SCHEMBL823810 0.88 NAMPT (0.42) MKNK1MKNK2NPC1RAB9AKDM4E
SCHEMBL825764 0.88 MKNK1 (0.41) MKNK1MKNK2NPC1RAB9AKDM4E
SCHEMBL826099 0.87 MKNK1 (0.40) MKNK1MKNK2NPC1RAB9AKDM4E
SCHEMBL823648 0.86 HPGD (0.50) MKNK1MKNK2KDM4EHPGDNAMPT
SCHEMBL823761 0.85 MKNK2 (0.38) MKNK1MKNK2NPC1RAB9AALDH1A1
SCHEMBL823762 0.85 MKNK2 (0.47) MKNK1MKNK2BACE1MAP4K4
SCHEMBL823718 0.84 MAP4K4 (0.41) MKNK1MKNK2MAP4K4
SCHEMBL4425330 0.83 CHEK2 (0.45) MKNK1MKNK2TLR8MAP4K4
SCHEMBL3331769 0.83 KDM4E (0.47) NPC1RAB9AKDM4EALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US claimed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US disclosed
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP MKNK1 3271/4885MKNK2 3173/4885NPC1 3135/4885

“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.