SCHEMBL12057676

SCHEMBL12057676

CNc1ccc2sc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.50
▸ DYRK1A Q13627 1/20 0.38
▸ APP P05067 1/20 0.35
▸ SYK P43405 4/20 0.33

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
SCHEMBL12058435 0.93 IRAK4 (0.50) IRAK4APP
SCHEMBL12058434 0.87 IRAK4 (0.49) IRAK4DYRK1ASYK
SCHEMBL13493538 0.86 IRAK4 (0.67) IRAK4
SCHEMBL12057786 0.85 IRAK4 (0.56) IRAK4
SCHEMBL12058086 0.84 IRAK4 (0.53) IRAK4APP
SCHEMBL12057759 0.82 IRAK4 (0.49) IRAK4APP
SCHEMBL12037699 0.82 IRAK4 (0.75) IRAK4
SCHEMBL12057677 0.81 IRAK4 (0.48) IRAK4
SCHEMBL12058041 0.80 IRAK4 (0.51) IRAK4
SCHEMBL12057768 0.79 IRAK4 (0.56) IRAK4APP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — 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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO IRAK4 706/4885DYRK1A 463/4885APP 973/4885

“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.

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