SCHEMBL4524229

SCHEMBL4524229

CCOc1nc(N)nc2ccc(-c3ccccc3C(F)(F)F)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.48
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.39
TRPA1 O75762 1/20 0.39
KMO O15229 1/20 0.38
BACE1 P56817 1/20 0.38
DHFR P00374 1/20 0.37
CTSK P43235 1/20 0.37
ACP1 P24666 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPK1 P28482 2/20 0.36
HIF1A Q16665 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
SCHEMBL4536715 0.85 TRPV3 (0.38) PTPN1TLR8TLR7BACE1DHFR
SCHEMBL4528709 0.84 ADORA2A (0.41) TLR8TLR7DHFRPDE1APDE1B
SCHEMBL4534714 0.83 ADORA2A (0.42) PTPN1TLR8DHFRPDE1APDE1B
SCHEMBL4512860 0.83 DHFR (0.50) TLR8DHFRGAAL3MBTL1ALDH1A1
SCHEMBL3767255 0.83 PTPN1 (0.47) PTPN1TLR8TRPA1CTSK
SCHEMBL4522776 0.82 L3MBTL1 (0.54) PTPN1TLR8DHFRTDP1MAPK1
SCHEMBL4536401 0.81 HSP90AA1 (0.47) PTPN1TLR8DHFRTSHRHSD17B10
SCHEMBL4533730 0.80 DHFR (0.35) TLR8TLR7DHFRPDE1APDE1B
SCHEMBL4520276 0.80 PDE1A (0.41) TLR8TLR7DHFRPDE1APDE1B
SCHEMBL4525197 0.79 ALDH1A1 (0.52) TLR8DHFRTSHRHSD17B10TDP1

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 2 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

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 PTPN1 1692/4885TLR8 1791/4885TLR7 851/4885

“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.