SCHEMBL4113620

SCHEMBL4113620

Nc1nc(-c2ccccc2)c2nc(-c3cn[nH]c3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 4/20 0.50
▸ HIPK1 Q86Z02 4/20 0.50
▸ HIPK2 Q9H2X6 4/20 0.50
▸ CLK4 Q9HAZ1 4/20 0.50
▸ HIPK3 Q9H422 3/20 0.50
▸ DYRK2 Q92630 2/20 0.50
▸ AKT2 P31751 2/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ CLK1 P49759 2/20 0.48
▸ ADORA2A P29274 7/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ ILK Q13418 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ IRAK4 Q9NWZ3 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
SCHEMBL4097472 0.82 ADORA2A (0.53) ADORA2ANUDT1MAP4K4MAPK1ADORA1
SCHEMBL4106848 0.80 CLK2 (0.51) CLK2HIPK1HIPK2CLK4HIPK3
SCHEMBL4114210 0.80 ADORA2A (0.44) ADORA2ANUDT1MAP4K4MAPK1ADORA1
SCHEMBL4113727 0.78 MAP4K4 (0.46) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4110099 0.78 ADORA2A (0.52) ADORA2ANUDT1MAP4K4MAPK1ADORA1
SCHEMBL4107610 0.77 SCN9A (0.53) ADORA2ANUDT1MAP4K4ADORA1CHEK2
SCHEMBL4106881 0.77 ADORA2A (0.45) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4097613 0.77 ADORA2A (0.60) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4107032 0.76 ADORA2A (0.44) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4108639 0.76 ADORA2A (0.63) ADORA2ANUDT1ADORA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 — — US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 — — WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 — — US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 — — US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 — — 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD CLK2 1671/4885HIPK1 4285/4885HIPK2 4052/4885

“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.

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