SCHEMBL4528289

SCHEMBL4528289

CCOc1nc(N)nc2ccc(-c3ccco3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.42
ADORA2A P29274 5/20 0.41
ADORA1 P30542 3/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.36
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
SCHEMBL3761264 0.81 DHFR (0.41) KDM4EHSD17B10HPGDGAAADORA2A
SCHEMBL4525197 0.79 ALDH1A1 (0.52) KDM4EHSD17B10HPGDGAAADORA2A
SCHEMBL11888736 0.79 GRM4 (0.50) KDM4EHSD17B10HPGDGAANPC1
SCHEMBL4096293 0.79 ADORA2A (0.42) KDM4EHSD17B10HPGDADORA2AADORA1
SCHEMBL4520511 0.78 ADORA2A (0.39) KDM4EHSD17B10HPGDGAAADORA2A
SCHEMBL3336846 0.77 ADORA2A (0.49) KDM4EHSD17B10HPGDGAAADORA2A
SCHEMBL4536473 0.77 MAP4K4 (0.49) KDM4EHSD17B10HPGDGAANPC1
SCHEMBL823714 0.76 MAPT (0.40) KDM4EHSD17B10HPGDNPC1RAB9A
SCHEMBL4534714 0.76 ADORA2A (0.42) GAAADORA2AADORA1NPC1RAB9A
SCHEMBL4512860 0.76 DHFR (0.50) GAAADORA2AADORA1ALDH1A1DHFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed

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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO KDM4E 3685/4885HSD17B10 1506/4885HPGD 119/4885

“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.