SCHEMBL4520276

SCHEMBL4520276

CCOc1nc(N)nc2ccc(-c3cccnc3F)nc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 6/20 0.41
PDE1B Q01064 6/20 0.41
PDE1C Q14123 6/20 0.41
MAPT P10636 3/20 0.39
TGFBR1 P36897 2/20 0.39
TLR8 Q9NR97 4/20 0.37
TLR7 Q9NYK1 3/20 0.37
DHFR P00374 2/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALOX5AP P20292 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL4528709 0.85 ADORA2A (0.41) PDE1APDE1BPDE1CTGFBR1TLR8
SCHEMBL4533730 0.83 DHFR (0.35) PDE1APDE1BPDE1CTGFBR1TLR8
SCHEMBL3759373 0.82 NOS1 (0.40) PDE1APDE1BPDE1CMAPTALOX5AP
SCHEMBL4512860 0.81 DHFR (0.50) TLR8DHFRGAAL3MBTL1
SCHEMBL4534714 0.81 ADORA2A (0.42) PDE1APDE1BPDE1CTLR8DHFR
SCHEMBL4522776 0.81 L3MBTL1 (0.54) MAPTTLR8DHFRPDCD1LG2CD274
SCHEMBL4524229 0.80 PTPN1 (0.48) PDE1APDE1BPDE1CTLR8TLR7
SCHEMBL4536401 0.80 HSP90AA1 (0.47) MAPTTLR8DHFR
SCHEMBL4524970 0.80 TRPV3 (0.35) PDE1APDE1BPDE1CMAPTTGFBR1
SCHEMBL4528794 0.79 PTPN1 (0.45) MAPTPDCD1LG2CD274GAAL3MBTL1

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 PDE1A 4589/4885PDE1B 4467/4885PDE1C 4245/4885

“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.