SCHEMBL4520221

SCHEMBL4520221

COCCOc1nc(N)nc2ccc(-c3ccc(Cl)c(F)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.40
KMO O15229 3/20 0.37
KDM4C Q9H3R0 2/20 0.35
SQOR Q9Y6N5 1/20 0.34
LCK P06239 1/20 0.34
KIT P10721 1/20 0.34
SRC P12931 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
GRIN2B Q13224 1/20 0.33
ABL1 P00519 1/20 0.32

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
SCHEMBL4533791 0.92 MAP4K4 (0.42) MAP4K4KMOSQORTSHRPDE4A
SCHEMBL4526302 0.90 MAP4K4 (0.39) MAP4K4KMOSQORTSHRPDE4A
SCHEMBL4513145 0.88 MAP4K4 (0.42) MAP4K4KMOLCKKITSRC
SCHEMBL4526538 0.87 ALDH1A1 (0.46) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL3613491 0.84 SQOR (0.45) MAP4K4SQORTSHRPIK3CDPIK3CA
SCHEMBL4520304 0.84 MAP4K4 (0.41) MAP4K4TSHRPDE4APDE4BPDE4C
SCHEMBL4527647 0.84 SQOR (0.43) MAP4K4SQORTSHRPIK3CDPIK3CA
SCHEMBL4516860 0.82 MAPT (0.41) MAP4K4SQORTSHRPIK3CDPIK3CA
SCHEMBL4523926 0.81 NOS1 (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL4527664 0.81 TSHR (0.42) MAP4K4SQORTSHRPIK3CDPIK3CA

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 1151/4885KDM4C 2396/4885

“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.