SCHEMBL4110202

SCHEMBL4110202

N#Cc1ccc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 0.51
ADORA2A P29274 17/20 0.50
NUDT1 P36639 1/20 0.44
ATR Q13535 1/20 0.42
ADORA2B P29275 2/20 0.41

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 0.87 ADORA2A (0.53) ADORA1ADORA2ANUDT1
SCHEMBL4107186 0.87 ADORA2A (0.63) ADORA1ADORA2AATRADORA2B
SCHEMBL4775381 0.85 MAOB (0.43) ADORA1ADORA2AATR
SCHEMBL4101040 0.83 ADORA2A (0.44) ADORA1ADORA2ANUDT1ADORA2B
SCHEMBL4097613 0.82 ADORA2A (0.60) ADORA1ADORA2ANUDT1ADORA2B
SCHEMBL4113320 0.81 ADORA2A (0.58) ADORA1ADORA2ANUDT1ADORA2B
SCHEMBL4110099 0.81 ADORA2A (0.52) ADORA1ADORA2ANUDT1
SCHEMBL4107477 0.81 ADORA2A (0.49) ADORA1ADORA2ANUDT1ATR
SCHEMBL4115816 0.80 GHSR (0.44) ADORA2AATR
SCHEMBL4107610 0.80 SCN9A (0.53) ADORA1ADORA2ANUDT1

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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US 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 ADORA1 163/4885ADORA2A 165/4885NUDT1 8/4885

“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.