SCHEMBL12058067

SCHEMBL12058067

Nc1nc(Cl)c(-c2cc3cc(-c4nc5ccccc5o4)ccc3o2)c(N[C@H]2CC[C@@H](CO)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.43
▸ FASN P49327 14/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ BCHE P06276 1/20 0.35

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
SCHEMBL12058044 0.89 IRAK4 (0.37) IRAK4
SCHEMBL12057672 0.85 PTGES (0.39) IRAK4RAB9AHRH4
SCHEMBL12037673 0.84 IRAK4 (0.64) IRAK4
SCHEMBL12058356 0.84 IRAK4 (0.53) IRAK4FASNRAB9ABCHE
SCHEMBL12058194 0.83 IRAK4 (0.37) IRAK4
SCHEMBL12057969 0.82 APP (0.37) IRAK4
SCHEMBL12057996 0.81 PTGES (0.40) IRAK4
SCHEMBL12057967 0.81 PTGES (0.39) IRAK4
SCHEMBL12057752 0.80 MKNK1 (0.36) IRAK4
SCHEMBL12057970 0.80 IRAK4 (0.33) IRAK4RAB9A

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 706/4885FASN 2674/4885RAB9A 147/4885

“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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