SCHEMBL4565142

SCHEMBL4565142

CCCCCc1ccc2nc(N)nc(OCCOC)c2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.44
TLR8 Q9NR97 9/20 0.43
TLR7 Q9NYK1 9/20 0.43
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL4564822 0.87 DHFR (0.48) DHFRTLR8TLR7
SCHEMBL4519499 0.78 TSHR (0.44) DHFRTLR8TLR7
SCHEMBL18109747 0.77 DHFR (0.69) DHFR
SCHEMBL823730 0.77 TSHR (0.43) DHFRTLR8TLR7
SCHEMBL20134736 0.73 DHFR (0.67) DHFR
SCHEMBL4534010 0.72 TSHR (0.46) TLR8TLR7NOS1
SCHEMBL4516860 0.72 MAPT (0.41) TLR8TLR7NOS1
SCHEMBL4528643 0.72 TSHR (0.39) TLR8TLR7
SCHEMBL4527664 0.72 TSHR (0.42) DHFRTLR8TLR7NOS1
SCHEMBL3613491 0.71 SQOR (0.45) DHFRTLR8TLR7

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 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 DHFR 13/4885TLR8 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.