SCHEMBL12058093

SCHEMBL12058093

OC[C@@H]1CC[C@H](Nc2nc(NC3CCNCC3)nc(Cl)c2-c2nc3ccccc3s2)C1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 19/20 0.53
▸ ILK Q13418 1/20 0.44

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
SCHEMBL12058041 0.88 IRAK4 (0.51) IRAK4
SCHEMBL12058094 0.88 IRAK4 (0.55) IRAK4ILK
SCHEMBL12057762 0.88 IRAK4 (0.51) IRAK4ILK
SCHEMBL13493406 0.86 IRAK4 (0.55) IRAK4
SCHEMBL12057930 0.86 IRAK4 (0.56) IRAK4
SCHEMBL12057824 0.86 IRAK4 (0.51) IRAK4
SCHEMBL12058205 0.85 IRAK4 (0.47) IRAK4ILK
SCHEMBL12057731 0.85 IRAK4 (0.48) IRAK4
SCHEMBL12057834 0.84 IRAK4 (0.47) IRAK4
SCHEMBL12058211 0.84 IRAK4 (0.47) 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 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 706/4885ILK 4638/4885

“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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