SCHEMBL4513145

SCHEMBL4513145

CCOc1nc(N)nc2ccc(-c3ccc(Cl)c(F)c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.42
KMO O15229 3/20 0.39
GRIN2B Q13224 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
SGK1 O00141 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
TNIK Q9UKE5 1/20 0.34
DHFR P00374 1/20 0.34
ABL1 P00519 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 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
SCHEMBL4525204 0.91 MAP4K4 (0.44) MAP4K4KMOSGK1NPC1ALDH1A1
SCHEMBL4526798 0.90 MAP4K4 (0.41) MAP4K4KMONPC1ALDH1A1MAPK1
SCHEMBL4412818 0.88 MAP4K4 (0.38) MAP4K4KITNPC1ALDH1A1MAPK1
SCHEMBL4520221 0.88 MAP4K4 (0.40) MAP4K4KMOGRIN2BLCKKIT
SCHEMBL4526022 0.86 DHFR (0.40) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4525998 0.86 CTSS (0.41) MAP4K4KMOGRIN2B
SCHEMBL4526296 0.85 ALDH1A1 (0.47) MAP4K4NPC1ALDH1A1RAB9AMEN1
SCHEMBL3760847 0.83 NOS1 (0.44) KMOGRIN2BSGK1
SCHEMBL4529751 0.83 MAP4K4 (0.44) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4122428 0.83 MPO (0.39) MAP4K4NPC1ALDH1A1MAPK1RAB9A

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 MAP4K4 3289/4885KMO 1151/4885GRIN2B 3668/4885

“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.