SCHEMBL4522776

SCHEMBL4522776

CCOc1nc(N)nc2ccc(-c3ccccc3Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
GAA P10253 1/20 0.54
HSP90AA1 P07900 2/20 0.43
PTPN1 P18031 1/20 0.43
HSP90AB1 P08238 1/20 0.43
MPO P05164 1/20 0.41
PTGES O14684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
DHFR P00374 1/20 0.39
AGPAT2 O15120 1/20 0.38
CHRNA7 P36544 1/20 0.37
MAP4K4 O95819 1/20 0.37
TLR8 Q9NR97 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 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
SCHEMBL4528794 0.90 PTPN1 (0.45) L3MBTL1GAAPTPN1KDM4EMAPT
SCHEMBL4524543 0.86 MAPT (0.55) L3MBTL1GAAHSP90AA1PTPN1HSP90AB1
SCHEMBL4512860 0.86 DHFR (0.50) L3MBTL1GAAHSP90AA1DHFRAGPAT2
SCHEMBL4534714 0.86 ADORA2A (0.42) L3MBTL1GAAPTPN1MPODHFR
SCHEMBL11911418 0.85 KDM4E (0.46) L3MBTL1GAAHSP90AA1PTPN1HSP90AB1
SCHEMBL4528709 0.85 ADORA2A (0.41) L3MBTL1GAAMPOKDM4EDHFR
SCHEMBL4519931 0.84 MAPT (0.42) L3MBTL1GAAHSP90AA1PTPN1HSP90AB1
SCHEMBL4536401 0.84 HSP90AA1 (0.47) HSP90AA1PTPN1HSP90AB1KDM4EMAPT
SCHEMBL4524229 0.82 PTPN1 (0.48) L3MBTL1GAAPTPN1KDM4ETDP1
SCHEMBL4525197 0.82 ALDH1A1 (0.52) L3MBTL1GAAHSP90AA1KDM4EMAPT

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 L3MBTL1 4654/4885GAA 1919/4885HSP90AA1 4008/4885

“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.