SCHEMBL823770

SCHEMBL823770

CNC(=O)c1ccc(-c2ccc3nc(N)nc(OC(C)C)c3n2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAP4K4 O95819 4/20 0.39
MET P08581 2/20 0.38
KMO O15229 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDK2 Q15119 1/20 0.36
MTOR P42345 4/20 0.35
PIK3CA P42336 2/20 0.35
DYRK1A Q13627 1/20 0.35
ADORA2A P29274 1/20 0.35
ATR Q13535 1/20 0.34
MELK Q14680 2/20 0.34

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
SCHEMBL823772 0.88 MELK (0.43) MAP4K4DYRK1AMELK
SCHEMBL825943 0.86 PDK2 (0.40) MAP4K4METPDE4APDE4BPDE4C
SCHEMBL3331778 0.85 MKNK1 (0.39) MKNK1MKNK2METKMOPDK2
SCHEMBL825702 0.83 MET (0.38) MAP4K4METPDE4APDE4BPDE4C
SCHEMBL823683 0.77 MKNK2 (0.46) MKNK1MKNK2MAP4K4
SCHEMBL823724 0.76 MKNK2 (0.38) MKNK1MKNK2MAP4K4PDE4APDE4B
SCHEMBL4521804 0.75 KMT2A (0.43) PDE4APDE4BPDE4CPDE4DPIK3CA
SCHEMBL823649 0.75 MEN1 (0.44) MAP4K4DYRK1AMELK
SCHEMBL826252 0.75 HPGD (0.40) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL823771 0.75 JAK2 (0.38) MKNK1MKNK2MAP4K4DYRK1A

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.