SCHEMBL4518629

SCHEMBL4518629

COCCOc1nc(N)nc2ccc(-c3ccc(CC#N)cc3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.37
TSHR P16473 1/20 0.34
MAP4K4 O95819 3/20 0.33
TLR7 Q9NYK1 4/20 0.33
TLR8 Q9NR97 3/20 0.33
USP8 P40818 1/20 0.32
CBFB Q13951 1/20 0.32
PIK3CD O00329 2/20 0.32
PIK3CA P42336 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
PI4KA P42356 1/20 0.32
DHFR P00374 1/20 0.32
FGFR3 P22607 1/20 0.32
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
HCK P08631 1/20 0.31
SRC P12931 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL4526324 0.85 CBFB (0.42) SQORTSHRMAP4K4TLR7TLR8
SCHEMBL4516860 0.85 MAPT (0.41) SQORTSHRMAP4K4TLR7TLR8
SCHEMBL4527664 0.84 TSHR (0.42) SQORTSHRMAP4K4TLR7TLR8
SCHEMBL4519618 0.83 PIK3CG (0.40) TSHRMAP4K4PIK3CDPIK3CAPIK3CB
SCHEMBL4520304 0.83 MAP4K4 (0.41) TSHRMAP4K4PIK3CDPIK3CAPIK3CB
SCHEMBL3613491 0.83 SQOR (0.45) SQORTSHRMAP4K4TLR7TLR8
SCHEMBL4534010 0.83 TSHR (0.46) SQORTSHRMAP4K4TLR7TLR8
SCHEMBL4528643 0.82 TSHR (0.39) TSHRMAP4K4TLR7TLR8PIK3CD
SCHEMBL4535000 0.80 S1PR1 (0.35) TSHRMAP4K4TLR7TLR8PIK3CA
SCHEMBL4521271 0.80 MPO (0.40) SQORTSHRMAP4K4TLR7TLR8

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 SQOR 823/4885TSHR 3042/4885MAP4K4 3289/4885

“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.