SCHEMBL4530884

SCHEMBL4530884

CCOc1nc(N)nc2ccc(-c3ccc(N(C)C)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.42
APP P05067 4/20 0.37
SYK P43405 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NOS1 P29475 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PARP1 P09874 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL823714 0.87 MAPT (0.40) APPNPC1ALDH1A1MAPK1RAB9A
SCHEMBL4513221 0.86 RXFP1 (0.43) NPC1ALDH1A1MAPK1RAB9ANOS1
SCHEMBL4122428 0.85 MPO (0.39) NPC1ALDH1A1MAPK1RAB9ANOS1
SCHEMBL4533861 0.85 PIK3CG (0.43) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4529751 0.85 MAP4K4 (0.44) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4525197 0.84 ALDH1A1 (0.52) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4534215 0.84 ALDH1A1 (0.47) NPC1ALDH1A1RAB9ANOS1PARP1
SCHEMBL4526926 0.83 ALDH1A1 (0.43) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4558379 0.82 MAPT (0.42) APPNPC1ALDH1A1MAPK1RAB9A
SCHEMBL4536355 0.81 TLR8 (0.40) NPC1ALDH1A1MAPK1RAB9AMAOB

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 ADK 447/4885APP 4145/4885SYK 3550/4885

“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.