SCHEMBL823731

SCHEMBL823731

COc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
MAP4K4 O95819 2/20 0.44
FYN P06241 1/20 0.43
MAPK14 Q16539 5/20 0.43
ATR Q13535 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMYD3 Q9H7B4 2/20 0.42
KLK7 P49862 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HDAC4 P56524 1/20 0.39
HPGD P15428 1/20 0.39
TTK P33981 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
SCHEMBL823609 0.89 MKNK1 (0.46) MKNK1MKNK2MAP4K4FYNMAPK14
SCHEMBL823813 0.89 MKNK1 (0.45) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL826358 0.89 MKNK1 (0.45) MKNK1MKNK2MAP4K4FYNMAPK14
SCHEMBL826445 0.85 MKNK1 (0.45) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL825927 0.85 MKNK1 (0.43) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL823721 0.85 SMN1; SMN2 (0.51) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL825655 0.85 MKNK1 (0.47) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL823680 0.85 MKNK1 (0.49) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL825946 0.85 MKNK1 (0.44) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL825839 0.85 MKNK1 (0.44) MKNK1MKNK2MAP4K4MAPK14ATR

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 3173/4885MAP4K4 2930/4885

“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.