SCHEMBL4095659

SCHEMBL4095659

Cc1cncc(-c2ccc3nc(N)nc(-c4ccccc4)c3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.45
ADORA1 P30542 8/20 0.44
NUDT1 P36639 1/20 0.43
MAP4K4 O95819 1/20 0.43
HSP90AB1 P08238 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2B P29275 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
DHFR P00374 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
SCHEMBL4100922 0.85 ADORA2A (0.43) ADORA2AADORA1NUDT1MAP4K4DHFR
SCHEMBL4103447 0.81 MPO (0.41) MAP4K4CYP3A4CYP11B1CYP11B2DHFR
SCHEMBL4100790 0.81 MAP4K4 (0.45) ADORA2AADORA1NUDT1MAP4K4HSP90AB1
SCHEMBL4103154 0.81 ADORA2A (0.44) ADORA2AADORA1NUDT1MAP4K4ADORA2B
SCHEMBL4102213 0.81 ADORA2A (0.43) ADORA2AADORA1NUDT1MAP4K4HSP90AB1
SCHEMBL4097472 0.81 ADORA2A (0.53) ADORA2AADORA1NUDT1MAP4K4KDM4E
SCHEMBL4096177 0.81 ADORA2A (0.58) ADORA2AADORA1NUDT1MAP4K4HSP90AB1
SCHEMBL4101502 0.81 ADORA2A (0.46) ADORA2AADORA1NUDT1MAP4K4HSP90AB1
SCHEMBL4106845 0.81 ADORA2A (0.49) ADORA2AADORA1NUDT1MAP4K4HSP90AB1
SCHEMBL4110099 0.80 ADORA2A (0.52) ADORA2AADORA1NUDT1MAP4K4KDM4E

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 163/4885NUDT1 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.