SCHEMBL4097814

SCHEMBL4097814

Nc1nc(-c2ccccc2)c2nc(-c3cccc4cccnc34)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.47
ADORA2A P29274 9/20 0.42
NUDT1 P36639 1/20 0.42
TOP1 P11387 3/20 0.42
ADORA1 P30542 10/20 0.40
MAP4K4 O95819 1/20 0.40
TGFBR1 P36897 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 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
SCHEMBL4102160 0.83 ADORA2A (0.53) ATRADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4101671 0.82 CHRNA7 (0.44) ADORA2ANUDT1TOP1ADORA1
SCHEMBL4096139 0.80 PDE1B (0.46) ADORA2ANUDT1ADORA1
SCHEMBL4097630 0.80 P2RX7 (0.45) ATRADORA2AADORA1ADORA3ADORA2B
SCHEMBL1408927 0.79 ADORA2A (0.61) ADORA2ANUDT1TOP1ADORA1
SCHEMBL4101007 0.79 ADORA2A (0.43) ADORA2ANUDT1TOP1ADORA1MAP4K4
SCHEMBL4112741 0.77 ADORA2A (0.44) ADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4107621 0.77 ATR (0.45) ATRADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4097472 0.77 ADORA2A (0.53) ADORA2ANUDT1ADORA1MAP4K4
SCHEMBL4097541 0.76 ADORA2A (0.45) ADORA2ANUDT1ADORA1MAP4K4

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 ATR 3290/4885ADORA2A 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.