SCHEMBL4530356

SCHEMBL4530356

CCOCCOc1nc(N)nc2ccc(-c3ccccc3F)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NCF1 P14598 4/20 0.38
ADORA2A P29274 2/20 0.37
MAPK14 Q16539 1/20 0.36
MPO P05164 1/20 0.35
MPL P40238 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
DHPS P49366 1/20 0.34
DHFR P00374 1/20 0.33
MAP4K1 Q92918 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TGFBR1 P36897 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA1 P30542 1/20 0.32
NOS1 P29475 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
SCHEMBL4107911 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14
SCHEMBL4528709 0.90 ADORA2A (0.41) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14
SCHEMBL4108704 0.89 TLR8 (0.42) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14
SCHEMBL4107949 0.88 TLR8 (0.44) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14
SCHEMBL4533730 0.83 DHFR (0.35) ALDH1A1MAPK1HSD17B10ADORA2AMPO
SCHEMBL3608749 0.82 NCF1 (0.38) NCF1ADORA2AMAPK14MPOTLR8
SCHEMBL4106324 0.82 ADORA2A (0.39) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14
SCHEMBL4113986 0.81 MPO (0.48) ADORA2AMPODHFRMAP4K1
SCHEMBL4531023 0.81 MAP4K4 (0.50) NCF1ADORA2AMPOTLR8
SCHEMBL4106491 0.79 SLC2A1 (0.40) ALDH1A1MAPK1HSD17B10ADORA2AMAPK14

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 5 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-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
EP-1899332-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2008-03-19 EP disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO 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 ALDH1A1 1010/4885MAPK1 3496/4885HSD17B10 1506/4885

“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.