SCHEMBL4101902

SCHEMBL4101902

Cc1cc(C)c(-c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
ADORA2B P29275 2/20 0.39
ADORA1 P30542 2/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK14 Q16539 1/20 0.38
MAP4K4 O95819 4/20 0.38
CDK9 P50750 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
SCN9A Q15858 1/20 0.36
DHFR P00374 3/20 0.36
HSP90AB1 P08238 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SRC P12931 1/20 0.35
TOP1 P11387 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL4110071 0.88 ADORA2A (0.39) ADORA2AADORA2BADORA1KDM4EMAP4K4
SCHEMBL4106844 0.88 ADORA2A (0.39) ADORA2AADORA2BADORA1KDM4EMAP4K4
SCHEMBL4102228 0.86 ADORA2A (0.45) ADORA2AADORA2BADORA1KDM4EMAPK14
SCHEMBL4112623 0.85 ADORA2A (0.50) ADORA2AADORA1KDM4EMAPK14MAP4K4
SCHEMBL4104681 0.83 ADORA2A (0.42) ADORA2AADORA2BADORA1KDM4EMAPK14
SCHEMBL4100954 0.82 ADORA2A (0.41) ADORA2AADORA2BADORA1KDM4EMAPK14
SCHEMBL4112813 0.82 ADORA2A (0.54) ADORA2AADORA2BADORA1KDM4EMAP4K4
SCHEMBL4108275 0.82 ADORA2A (0.46) ADORA2AADORA2BADORA1KDM4EMAP4K4
SCHEMBL4107626 0.82 ADORA2A (0.43) ADORA2AADORA2BADORA1KDM4EMAP4K4
SCHEMBL4101447 0.82 ADORA2A (0.48) ADORA2AADORA2BADORA1KDM4ESCN9A

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 165/4885ADORA2B 190/4885ADORA1 163/4885

“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.