SCHEMBL4103154

SCHEMBL4103154

Cc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cnc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.44
NUDT1 P36639 1/20 0.43
MAP4K4 O95819 4/20 0.40
ADORA1 P30542 4/20 0.38
ADORA2B P29275 1/20 0.38
SCN9A Q15858 1/20 0.37
DHFR P00374 2/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL4102213 0.86 ADORA2A (0.43) ADORA2ANUDT1MAP4K4ADORA1ADORA2B
SCHEMBL4100790 0.86 MAP4K4 (0.45) ADORA2ANUDT1MAP4K4ADORA1DHFR
SCHEMBL4100958 0.82 MPO (0.39) ADORA2AMAP4K4DHFRLCKKDR
SCHEMBL4096177 0.82 ADORA2A (0.58) ADORA2ANUDT1MAP4K4ADORA1ADORA2B
SCHEMBL4095659 0.81 ADORA2A (0.45) ADORA2ANUDT1MAP4K4ADORA1ADORA2B
SCHEMBL4109900 0.81 ADORA2A (0.45) ADORA2ANUDT1MAP4K4ADORA1ADORA2B
SCHEMBL4110182 0.81 PIK3CA (0.47) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4113912 0.78 MAP4K4 (0.35) MAP4K4DHFR
SCHEMBL4106881 0.78 ADORA2A (0.45) ADORA2ANUDT1MAP4K4ADORA1
SCHEMBL4097613 0.77 ADORA2A (0.60) ADORA2ANUDT1MAP4K4ADORA1ADORA2B

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 8/4885MAP4K4 2166/4885

“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.