SCHEMBL12057930

SCHEMBL12057930

OC[C@H]1C[C@@H](Nc2nc(NC3CCNCC3)nc(Cl)c2-c2nc3ccccc3s2)C[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 20/20 0.56

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
SCHEMBL12058118 0.88 IRAK4 (0.56) IRAK4
SCHEMBL12037957 0.87 IRAK4 (0.74) IRAK4
SCHEMBL12058093 0.86 IRAK4 (0.53) IRAK4
SCHEMBL12058360 0.84 IRAK4 (0.53) IRAK4
SCHEMBL12058340 0.83 IRAK4 (0.52) IRAK4
SCHEMBL13493714 0.82 IRAK4 (0.51) IRAK4
SCHEMBL13493406 0.82 IRAK4 (0.55) IRAK4
SCHEMBL12057772 0.79 IRAK4 (0.64) IRAK4
SCHEMBL12037863 0.78 IRAK4 (0.73) IRAK4
SCHEMBL13493524 0.77 IRAK4 (0.52) IRAK4

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-20110318305-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS MERCK SHARP & DOHME LLC 2011-12-29 — — US disclosed
WO-2010022121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-02-25 — — WO 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 706/4885

“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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