SCHEMBL4528709

SCHEMBL4528709

CCOc1nc(N)nc2ccc(-c3ccccc3F)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.41
RXFP1 Q9HBX9 1/20 0.40
MAPK14 Q16539 1/20 0.39
DHFR P00374 1/20 0.39
MPO P05164 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MPL P40238 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR8 Q9NR97 2/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 3/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAP4K1 Q92918 1/20 0.36
LMNA P02545 1/20 0.36
TGFBR1 P36897 1/20 0.35
PDE1A P54750 1/20 0.35

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
SCHEMBL4533730 0.90 DHFR (0.35) ADORA2ARXFP1DHFRMPOALDH1A1
SCHEMBL4107911 0.90 ALDH1A1 (0.47) ADORA2AMAPK14MPOALDH1A1MPL
SCHEMBL4530356 0.90 ALDH1A1 (0.38) ADORA2ARXFP1MAPK14DHFRMPO
SCHEMBL4108704 0.89 TLR8 (0.42) ADORA2AMAPK14DHFRMPOALDH1A1
SCHEMBL4107949 0.88 TLR8 (0.44) ADORA2AMAPK14DHFRMPOALDH1A1
SCHEMBL4106324 0.87 ADORA2A (0.39) ADORA2AMAPK14MPOALDH1A1MPL
SCHEMBL4534714 0.86 ADORA2A (0.42) ADORA2AMAPK14DHFRMPOALDH1A1
SCHEMBL4512860 0.86 DHFR (0.50) ADORA2ADHFRALDH1A1GAAL3MBTL1
SCHEMBL4530939 0.85 HSP90AA1 (0.35) DHFRMPOALDH1A1KDM4EMAPK1
SCHEMBL4520276 0.85 PDE1A (0.41) DHFRGAAL3MBTL1TLR8TLR7

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 disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 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
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 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 (3 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 ADORA2A 252/4885RXFP1 4638/4885MAPK14 3835/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADORA2A 159/4885RXFP1 2965/4885MAPK14 2770/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP ADORA2A 159/4885RXFP1 2965/4885MAPK14 2770/4885

“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.