SCHEMBL4534714

SCHEMBL4534714

CCOc1nc(N)nc2ccc(-c3ccccc3C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.42
PTPN1 P18031 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
MAPK14 Q16539 1/20 0.41
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
DHFR P00374 5/20 0.39
MPO P05164 1/20 0.39
PDE1A P54750 2/20 0.38
PDE1B Q01064 2/20 0.38
PDE1C Q14123 2/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CDK1 P06493 1/20 0.36

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
SCHEMBL4512860 0.87 DHFR (0.50) ADORA2ADHFRGAAL3MBTL1ALDH1A1
SCHEMBL4522776 0.86 L3MBTL1 (0.54) PTPN1DHFRMPOGAAL3MBTL1
SCHEMBL4528709 0.86 ADORA2A (0.41) ADORA2AMAPK14DHFRMPOPDE1A
SCHEMBL4536401 0.85 HSP90AA1 (0.47) ADORA2APTPN1DHFRTLR8
SCHEMBL4525891 0.83 TLR8 (0.40) DHFRMPOTLR8
SCHEMBL4524229 0.83 PTPN1 (0.48) PTPN1DHFRPDE1APDE1BPDE1C
SCHEMBL4525197 0.83 ALDH1A1 (0.52) ADORA2ADHFRGAAL3MBTL1NPC1
SCHEMBL4528794 0.81 PTPN1 (0.45) PTPN1GAAL3MBTL1MAPK1PDCD1LG2
SCHEMBL4520276 0.81 PDE1A (0.41) DHFRPDE1APDE1BPDE1CGAA
SCHEMBL4533730 0.81 DHFR (0.35) ADORA2ADHFRMPOPDE1APDE1B

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 6 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-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
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 ADORA2A 252/4885PTPN1 1692/4885LCK 1220/4885

“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.