SCHEMBL4097613

SCHEMBL4097613

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.60
ADORA1 P30542 7/20 0.54
SCN9A Q15858 1/20 0.52
NUDT1 P36639 1/20 0.47
TOP1 P11387 2/20 0.44
MAP4K4 O95819 2/20 0.44
DPP4 P27487 1/20 0.42
DHODH Q02127 1/20 0.41
ADORA2B P29275 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 0.99 ADORA2A (0.58) ADORA2AADORA1SCN9ANUDT1TOP1
SCHEMBL4112813 0.94 ADORA2A (0.54) ADORA2AADORA1SCN9ANUDT1MAP4K4
SCHEMBL4097472 0.91 ADORA2A (0.53) ADORA2AADORA1NUDT1MAP4K4
SCHEMBL4112554 0.89 ADORA2A (0.51) ADORA2AADORA1SCN9ANUDT1TOP1
SCHEMBL4101447 0.87 ADORA2A (0.48) ADORA2AADORA1SCN9AADORA2B
SCHEMBL4102285 0.87 ADORA2A (0.48) ADORA2AADORA1SCN9AMAP4K4DHODH
SCHEMBL4102893 0.87 ADORA2A (0.48) ADORA2AADORA1SCN9ATOP1MAP4K4
SCHEMBL4108402 0.86 MAP4K4 (0.47) ADORA2AADORA1SCN9AMAP4K4ADORA2B
SCHEMBL4107776 0.85 ADORA2A (0.47) ADORA2AADORA1SCN9ATOP1MAP4K4
SCHEMBL4105860 0.84 MAP4K4 (0.44) ADORA2AADORA1SCN9AMAP4K4ADORA2B

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 163/4885SCN9A 3335/4885

“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.