SCHEMBL4519499

SCHEMBL4519499

COCCOc1ccc2nc(N)nc(OCCOC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
PIK3CA P42336 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
TLR7 Q9NYK1 5/20 0.38
TLR8 Q9NR97 4/20 0.38
DHFR P00374 2/20 0.34
MPO P05164 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
MAP4K4 O95819 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
SCHEMBL823730 0.84 TSHR (0.43) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL4516860 0.80 MAPT (0.41) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL4534010 0.80 TSHR (0.46) TSHRTLR7TLR8MPOMAP4K4
SCHEMBL4527664 0.79 TSHR (0.42) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL4528643 0.79 TSHR (0.39) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL4565142 0.78 DHFR (0.44) TLR7TLR8DHFR
SCHEMBL4519618 0.78 PIK3CG (0.40) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL3613491 0.78 SQOR (0.45) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL4520304 0.78 MAP4K4 (0.41) TSHRPIK3CAPIK3CDPIK3CBPI4KA
SCHEMBL845756 0.77 DHFR (0.60) TSHRTLR7TLR8DHFR

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 TSHR 3042/4885PIK3CA 609/4885PIK3CD 605/4885

“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.