SCHEMBL4533141

SCHEMBL4533141

CCOc1nc(N)nc2ccc(-c3cccs3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.46
ALDH1A1 P00352 9/20 0.46
PPARG P37231 2/20 0.41
NCOA2 Q15596 2/20 0.41
NCOA1 Q15788 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
HSD17B10 Q99714 3/20 0.40
ADORA2A P29274 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
HPGD P15428 7/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL4514057 0.87 KDM4E (0.43) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL4448719 0.81 NOS1 (0.52) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL4519986 0.80 KDM4E (0.36) KDM4EALDH1A1NPSR1RAB9ANPC1
SCHEMBL4525197 0.79 ALDH1A1 (0.52) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL4529758 0.79 KDM1A (0.39) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL4526926 0.78 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL4514930 0.78 PDE3A (0.42) ALDH1A1RAB9ANPC1HSD17B10ADORA2A
SCHEMBL4521264 0.77 MAPK8 (0.37) KDM4EALDH1A1HSD17B10MAPTTDP1
SCHEMBL3336195 0.77 ADORA2A (0.45) KDM4EALDH1A1PPARGNCOA2NCOA1
SCHEMBL823714 0.76 MAPT (0.40) KDM4EALDH1A1RAB9ANPC1HSD17B10

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-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
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO KDM4E 3685/4885ALDH1A1 1010/4885PPARG 407/4885

“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.