SCHEMBL4526324

SCHEMBL4526324

COCCOc1nc(N)nc2ccc(-c3ccc(CO)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.42
TSHR P16473 1/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
MAP4K4 O95819 3/20 0.35
SQOR Q9Y6N5 1/20 0.34
DHFR P00374 2/20 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
ATR Q13535 1/20 0.33
FYN P06241 1/20 0.33
KDM1A O60341 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
SCHEMBL4519618 0.88 PIK3CG (0.40) TSHRMAP4K4DHFRPIK3CDPIK3CA
SCHEMBL4516860 0.88 MAPT (0.41) TSHRTLR8TLR7MAP4K4SQOR
SCHEMBL4527664 0.87 TSHR (0.42) TSHRTLR8TLR7MAP4K4SQOR
SCHEMBL3613491 0.86 SQOR (0.45) TSHRTLR8TLR7MAP4K4SQOR
SCHEMBL4520304 0.86 MAP4K4 (0.41) TSHRMAP4K4DHFRPIK3CDPIK3CA
SCHEMBL4534010 0.85 TSHR (0.46) TSHRTLR8TLR7MAP4K4SQOR
SCHEMBL4518629 0.85 SQOR (0.37) CBFBTSHRTLR8TLR7MAP4K4
SCHEMBL4528643 0.84 TSHR (0.39) TSHRTLR8TLR7MAP4K4PIK3CD
SCHEMBL4536285 0.84 ATR (0.42) PIK3CAATR
SCHEMBL4535000 0.83 S1PR1 (0.35) TSHRTLR8TLR7MAP4K4PIK3CA

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 CBFB 1400/4885TSHR 3042/4885TLR8 1791/4885

“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.