SCHEMBL4564822

SCHEMBL4564822

CCCCCc1ccc2nc(N)nc(OCC)c2n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.48
TLR8 Q9NR97 10/20 0.46
TLR7 Q9NYK1 10/20 0.46
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4565142 0.87 DHFR (0.44) DHFRTLR8TLR7
SCHEMBL18109747 0.81 DHFR (0.69) DHFR
SCHEMBL3805201 0.78 NOS1 (0.53) TLR8TLR7
SCHEMBL20134736 0.77 DHFR (0.67) DHFR
SCHEMBL823646 0.76 SMN1; SMN2 (0.39) DHFR
SCHEMBL5793853 0.73 KCNH2 (0.46) DHFRTLR8TLR7KCNH2
SCHEMBL823714 0.71 MAPT (0.40) DHFR
SCHEMBL4525197 0.71 ALDH1A1 (0.52) DHFRTLR8
SCHEMBL4513221 0.70 RXFP1 (0.43) DHFR
SCHEMBL4526926 0.70 ALDH1A1 (0.43) DHFR

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.