SCHEMBL826252

SCHEMBL826252

CC(C)(C)Oc1nc(N)nc2ccc(-c3ccc(C(=O)NC4CC4)c(Cl)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MELK Q14680 7/20 0.40
MAP4K4 O95819 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TTK P33981 1/20 0.37
DYRK1A Q13627 4/20 0.37
KLK7 P49862 1/20 0.36
ALOX5AP P20292 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL826356 0.91 IDH1 (0.38) HPGDMELKMAP4K4NPC1RAB9A
SCHEMBL825943 0.88 PDK2 (0.40) MELKMAP4K4DYRK1AALOX5APPDE4A
SCHEMBL823772 0.88 MELK (0.43) HPGDMELKMAP4K4NPC1RAB9A
SCHEMBL823649 0.88 MEN1 (0.44) HPGDMELKMAP4K4RAB9ADYRK1A
SCHEMBL826358 0.85 MKNK1 (0.45) MAP4K4NPC1RAB9ATTK
SCHEMBL825655 0.81 MKNK1 (0.47) HPGDMAP4K4NPC1RAB9A
SCHEMBL825712 0.81 MKNK1 (0.46) HPGDMAP4K4NPC1RAB9A
SCHEMBL825702 0.79 MET (0.38) MAP4K4DYRK1APDE4APDE4BPDE4C
SCHEMBL825927 0.76 MKNK1 (0.43) MAP4K4NPC1RAB9A
SCHEMBL3341799 0.75 RAB9A (0.48) HPGDMELKMAP4K4NPC1RAB9A

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 HPGD 1119/4885MELK 1835/4885MAP4K4 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.