SCHEMBL4101040

SCHEMBL4101040

N#CCOc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.44
ADORA1 P30542 10/20 0.44
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
ACHE P22303 1/20 0.42
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NUDT1 P36639 1/20 0.39
SCN9A Q15858 1/20 0.39
ADORA2B P29275 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
SCHEMBL4096455 0.89 MAOB (0.49) ADORA2AADORA1MAOAMAOBADORA2B
SCHEMBL4775381 0.85 MAOB (0.43) ADORA2AADORA1MAOAMAOB
SCHEMBL4107746 0.84 ADORA2A (0.42) ADORA2AADORA1PTGS1PTGS2NUDT1
SCHEMBL4103587 0.84 GHSR (0.41) ADORA2AMAOAMAOBACHEPTGS1
SCHEMBL4113347 0.83 MAOB (0.45) ADORA2AADORA1MAOAMAOBNUDT1
SCHEMBL4110202 0.83 ADORA1 (0.51) ADORA2AADORA1NUDT1ADORA2B
SCHEMBL4107610 0.82 SCN9A (0.53) ADORA2AADORA1NUDT1SCN9A
SCHEMBL4097472 0.81 ADORA2A (0.53) ADORA2AADORA1NUDT1
SCHEMBL4108639 0.81 ADORA2A (0.63) ADORA2AADORA1NUDT1ADORA2B
SCHEMBL4104502 0.79 MAOB (0.41) ADORA2AMAOAMAOBACHE

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 ADORA2A 165/4885ADORA1 163/4885MAOA 764/4885

“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.