SCHEMBL4534848

SCHEMBL4534848

CCOc1nc(N)nc2ccc(-c3cccc(Cl)c3)nc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.65
DHFR P00374 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
MPO P05164 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
TLR8 Q9NR97 1/20 0.40
GAK O14976 1/20 0.39
PIN1 Q13526 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL4528297 0.89 MAP4K4 (0.49) MAP4K4DHFRNPC1ALDH1A1MAPK1
SCHEMBL823753 0.88 MAP4K4 (0.48) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4536473 0.87 MAP4K4 (0.49) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4122691 0.86 MAP4K4 (0.55) MAP4K4MPONPC1ALDH1A1MAPK1
SCHEMBL4529751 0.85 MAP4K4 (0.44) MAP4K4DHFRNPC1ALDH1A1MAPK1
SCHEMBL4525197 0.85 ALDH1A1 (0.52) MAP4K4DHFRNPC1ALDH1A1MAPK1
SCHEMBL4525204 0.84 MAP4K4 (0.44) MAP4K4DHFRNPC1ALDH1A1MAPK1
SCHEMBL4414487 0.83 MAP4K4 (0.45) MAP4K4DHFR
SCHEMBL4536335 0.83 ADORA2A (0.46) MAP4K4HRH4NPC1ALDH1A1MAPK1
SCHEMBL4532151 0.83 MAP4K4 (0.44) MAP4K4ALDH1A1TLR8

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 MAP4K4 3289/4885DHFR 13/4885HRH4 1280/4885

“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.