SCHEMBL825927

SCHEMBL825927

CCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MAP4K4 O95819 3/20 0.40
MAPK14 Q16539 3/20 0.39
ATR Q13535 2/20 0.38
NPC1 O15118 2/20 0.38
USP7 Q93009 1/20 0.38
SMYD3 Q9H7B4 3/20 0.38
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
HDAC4 P56524 1/20 0.37
HPGDS O60760 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL825728 0.96 MKNK1 (0.44) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL826265 0.95 MKNK1 (0.44) MKNK1MKNK2MAP4K4NPC1RAB9A
SCHEMBL826358 0.91 MKNK1 (0.45) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL825655 0.87 MKNK1 (0.47) MKNK1MKNK2MAP4K4MAPK14ATR
SCHEMBL826101 0.87 MAP4K4 (0.38) MKNK1MKNK2MAP4K4
SCHEMBL825895 0.87 MKNK2 (0.34) MKNK1MKNK2MAP4K4MAPK14
SCHEMBL826356 0.86 IDH1 (0.38) MAP4K4NPC1MEN1RAB9AKMT2A
SCHEMBL825712 0.86 MKNK1 (0.46) MKNK1MKNK2MAP4K4ATRNPC1
SCHEMBL826435 0.86 MKNK2 (0.43) MKNK1MKNK2MAP4K4ACSS2HDAC4
SCHEMBL823731 0.85 MKNK1 (0.47) 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 4 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-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.