SCHEMBL4100790

SCHEMBL4100790

Cc1cc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)cnc1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.45
ADORA2A P29274 12/20 0.43
NUDT1 P36639 1/20 0.43
HSP90AB1 P08238 2/20 0.41
ADORA1 P30542 7/20 0.38
DHFR P00374 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSP90AA1 P07900 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) MAP4K4ADORA2ANUDT1HSP90AB1ADORA1
SCHEMBL4103154 0.86 ADORA2A (0.44) MAP4K4ADORA2ANUDT1ADORA1DHFR
SCHEMBL4102838 0.82 MAP4K4 (0.40) MAP4K4DHFRHSP90AA1
SCHEMBL4096177 0.82 ADORA2A (0.58) MAP4K4ADORA2ANUDT1HSP90AB1ADORA1
SCHEMBL4095659 0.81 ADORA2A (0.45) MAP4K4ADORA2ANUDT1HSP90AB1ADORA1
SCHEMBL4113727 0.81 MAP4K4 (0.46) MAP4K4ADORA2ANUDT1HSP90AB1ADORA1
SCHEMBL4110182 0.81 PIK3CA (0.47) MAP4K4ADORA2ANUDT1ADORA1
SCHEMBL4105844 0.78 MAP4K4 (0.39) MAP4K4HSP90AB1DHFRKDM4EHSP90AA1
SCHEMBL4106881 0.78 ADORA2A (0.45) MAP4K4ADORA2ANUDT1ADORA1
SCHEMBL4114210 0.77 ADORA2A (0.44) MAP4K4ADORA2ANUDT1ADORA1

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 MAP4K4 2166/4885ADORA2A 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.