SCHEMBL4097472

SCHEMBL4097472

Nc1nc(-c2ccccc2)c2nc(-c3ccc(-c4ccccc4)cc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.53
NUDT1 P36639 1/20 0.53
ADORA1 P30542 8/20 0.49
MAP4K4 O95819 1/20 0.48
DHFR P00374 2/20 0.44
AURKA O14965 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PRKACA P17612 1/20 0.42
PIK3CG P48736 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 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
SCHEMBL4113320 0.93 ADORA2A (0.58) ADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4097613 0.91 ADORA2A (0.60) ADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4110099 0.89 ADORA2A (0.52) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4107610 0.89 SCN9A (0.53) ADORA2ANUDT1ADORA1MAP4K4CYP1A1
SCHEMBL4103412 0.88 ADORA2A (0.42) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4107803 0.87 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4105712 0.87 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4107594 0.87 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR
SCHEMBL4097217 0.87 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4HSP90AA1
SCHEMBL4103481 0.87 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4DHFR

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
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

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 165/4885NUDT1 8/4885ADORA1 163/4885

“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.