SCHEMBL4514930

SCHEMBL4514930

CCOc1nc(N)nc2ccc(-c3ccsc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.42
GAK O14976 1/20 0.39
CHRNA7 P36544 1/20 0.36
CHEK2 O96017 1/20 0.36
BACE1 P56817 1/20 0.35
NPC1 O15118 3/20 0.34
MAP4K4 O95819 2/20 0.34
HRH3 Q9Y5N1 3/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
KCNH2 Q12809 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
SCHEMBL4526926 0.83 ALDH1A1 (0.43) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL823714 0.82 MAPT (0.40) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL4525197 0.82 ALDH1A1 (0.52) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL3758461 0.81 NOS1 (0.43) PDE3AGAKCHEK2NPC1
SCHEMBL4513221 0.81 RXFP1 (0.43) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL4122428 0.80 MPO (0.39) GAKNPC1MAP4K4ALDH1A1MAPK1
SCHEMBL4533861 0.80 PIK3CG (0.43) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL4533771 0.80 MAP4K4 (0.39) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL4529751 0.80 MAP4K4 (0.44) NPC1MAP4K4ALDH1A1MAPK1RAB9A
SCHEMBL4534215 0.79 ALDH1A1 (0.47) NPC1HRH3ALDH1A1RAB9AADORA2A

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 PDE3A 1037/4885GAK 1134/4885CHRNA7 2904/4885

“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.