SCHEMBL4101671

SCHEMBL4101671

COc1ncccc1-c1ccc2nc(N)nc(-c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
ADORA2A P29274 9/20 0.41
ADORA1 P30542 6/20 0.40
DHODH Q02127 1/20 0.40
MTOR P42345 1/20 0.40
TOP1 P11387 2/20 0.40
NUDT1 P36639 1/20 0.40
ALOX5AP P20292 2/20 0.37
DHFR P00374 1/20 0.37
FEN1 P39748 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL4096139 0.89 PDE1B (0.46) ADORA2AADORA1NUDT1ALOX5APDHFR
SCHEMBL4110052 0.84 NPC1 (0.42) ADORA2AADORA1NUDT1
SCHEMBL4097814 0.82 ATR (0.47) ADORA2AADORA1TOP1NUDT1
SCHEMBL4111980 0.82 ADORA2A (0.42) ADORA2AADORA1NUDT1
SCHEMBL4107030 0.81 CHRNA7 (0.44) CHRNA7HRH4ADORA2ADHODHMTOR
SCHEMBL4096527 0.78 CHRNA7 (0.43) CHRNA7HRH4MTORALOX5APDHFR
SCHEMBL4101007 0.78 ADORA2A (0.43) ADORA2AADORA1TOP1NUDT1DHFR
SCHEMBL4114210 0.77 ADORA2A (0.44) ADORA2AADORA1MTORNUDT1
SCHEMBL4107621 0.77 ATR (0.45) CHRNA7ADORA2AADORA1NUDT1
SCHEMBL4108639 0.77 ADORA2A (0.63) ADORA2AADORA1NUDT1

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 CHRNA7 3872/4885HRH4 1129/4885ADORA2A 165/4885

“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.