SCHEMBL4520511

SCHEMBL4520511

CCOc1nc(N)nc2ccc(-c3ccoc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.39
MAP4K4 O95819 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ADORA1 P30542 3/20 0.33
HTR7 P34969 2/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR6 P50406 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KCNH2 Q12809 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL4525197 0.82 ALDH1A1 (0.52) ADORA2AMAP4K4ALDH1A1NPC1MAPK1
SCHEMBL823714 0.82 MAPT (0.40) MAP4K4ALDH1A1NPC1MAPK1RAB9A
SCHEMBL3758170 0.81 NOS1 (0.43) PIK3CG
SCHEMBL4513221 0.81 RXFP1 (0.43) ADORA2AMAP4K4ALDH1A1NPC1MAPK1
SCHEMBL4526926 0.81 ALDH1A1 (0.43) MAP4K4ALDH1A1NPC1MAPK1RAB9A
SCHEMBL4529751 0.80 MAP4K4 (0.44) MAP4K4ALDH1A1NPC1MAPK1RAB9A
SCHEMBL4122428 0.80 MPO (0.39) ADORA2AMAP4K4ALDH1A1NPC1MAPK1
SCHEMBL4533861 0.80 PIK3CG (0.43) ADORA2AMAP4K4ALDH1A1NPC1MAPK1
SCHEMBL4533771 0.80 MAP4K4 (0.39) ADORA2AMAP4K4ALDH1A1NPC1MAPK1
SCHEMBL4528297 0.79 MAP4K4 (0.49) ADORA2AMAP4K4ALDH1A1NPC1MAPK1

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 6 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-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
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 ADORA2A 252/4885MAP4K4 3289/4885ALDH1A1 1010/4885

“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.