SCHEMBL12058133

SCHEMBL12058133

Nc1nc(Cl)c(-c2cc3ccncc3o2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ SYK P43405 4/20 0.32
▸ PTGES O14684 2/20 0.31

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
SCHEMBL12057752 0.93 MKNK1 (0.36) NAMPTIRAK4MKNK1SYKPTGES
SCHEMBL12057724 0.89 IRAK4 (0.39) NAMPTIRAK4MKNK1
SCHEMBL12057994 0.87 NAMPT (0.33) NAMPTMKNK1SYK
SCHEMBL12058054 0.85 IRAK4 (0.37) IRAK4MKNK1SYKPTGES
SCHEMBL12057672 0.85 PTGES (0.39) IRAK4MKNK1SYKPTGES
SCHEMBL12058062 0.85 JAK1 (0.34) IRAK4MKNK1SYKPTGES
SCHEMBL12058058 0.85 PTGES (0.33) IRAK4SYKPTGES
SCHEMBL12058201 0.84 IRAK4 (0.33) IRAK4PTGES
SCHEMBL12058199 0.84 IRAK4 (0.34) IRAK4MKNK1SYKPTGES
SCHEMBL12058194 0.84 IRAK4 (0.37) IRAK4MKNK1SYKPTGES

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 NAMPT 569/4885IRAK4 706/4885MKNK1 4058/4885

“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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