SCHEMBL4526302

SCHEMBL4526302

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 7/20 0.39
DHFR P00374 2/20 0.37
MINK1 Q8N4C8 1/20 0.36
TNIK Q9UKE5 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
TSHR P16473 2/20 0.36
TOP1 P11387 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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 0.90 MAP4K4 (0.42) MAP4K4SQORTSHRPIK3CDPIK3CA
SCHEMBL4520221 0.90 MAP4K4 (0.40) MAP4K4MINK1TNIKSQORTSHR
SCHEMBL4526538 0.90 ALDH1A1 (0.46) MAP4K4L3MBTL1PDGFRBPDGFRAPDE4A
SCHEMBL3613491 0.87 SQOR (0.45) MAP4K4DHFRSQORTSHRL3MBTL1
SCHEMBL4526798 0.87 MAP4K4 (0.41) MAP4K4DHFRMINK1TNIKTOP1
SCHEMBL4527647 0.86 SQOR (0.43) MAP4K4DHFRSQORTSHRPIK3CD
SCHEMBL4520304 0.85 MAP4K4 (0.41) MAP4K4DHFRTSHRL3MBTL1CYP1A2
SCHEMBL4516860 0.84 MAPT (0.41) MAP4K4SQORTSHRPOLBCYP3A4
SCHEMBL4523926 0.84 NOS1 (0.44) DHFRHSD17B10PDE4APDE4BPDE4C
SCHEMBL4527664 0.83 TSHR (0.42) MAP4K4DHFRSQORTSHRHSD17B10

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 3289/4885DHFR 13/4885MINK1 3501/4885

“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.