SCHEMBL826265

SCHEMBL826265

CCC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CCCCC4)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
MAP4K4 O95819 1/20 0.42
IDH1 O75874 1/20 0.41
LMNA P02545 2/20 0.41
HDAC4 P56524 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACVR2A P27037 1/20 0.39
TGFBR2 P37173 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
ACVR1 Q04771 1/20 0.38

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 0.99 MKNK1 (0.44) MKNK1MKNK2MAP4K4IDH1LMNA
SCHEMBL825927 0.95 MKNK1 (0.43) MKNK1MKNK2MAP4K4IDH1HDAC4
SCHEMBL825712 0.91 MKNK1 (0.46) MKNK1MKNK2MAP4K4LMNAHDAC4
SCHEMBL825655 0.90 MKNK1 (0.47) MKNK1MKNK2MAP4K4LMNAHDAC4
SCHEMBL823680 0.86 MKNK1 (0.49) MKNK1MKNK2MAP4K4LMNANPC1
SCHEMBL826358 0.86 MKNK1 (0.45) MKNK1MKNK2MAP4K4HDAC4NPC1
SCHEMBL826435 0.85 MKNK2 (0.43) MKNK1MKNK2MAP4K4HDAC4ACVR1
SCHEMBL826101 0.84 MAP4K4 (0.38) MKNK1MKNK2MAP4K4LMNAAURKA
SCHEMBL825895 0.84 MKNK2 (0.34) MKNK1MKNK2MAP4K4
SCHEMBL823767 0.84 SMN1; SMN2 (0.53) MKNK1MKNK2MAP4K4LMNAHDAC4

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.