SCHEMBL12058199

SCHEMBL12058199

NC(=O)c1ccc2cc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)oc2c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ APP P05067 1/20 0.32
▸ PTGES O14684 5/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ MAPK8 P45983 2/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ SYK P43405 4/20 0.31
▸ PIK3R2 O00459 2/20 0.30

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
SCHEMBL12057969 0.93 APP (0.37) IRAK4PTPN11APPPTGESPTGS2
SCHEMBL12057769 0.91 IRAK4 (0.34) IRAK4PTPN11PTGESMAPK14SYK
SCHEMBL12057767 0.90 GPR6 (0.34) IRAK4PTPN11SYK
SCHEMBL12058054 0.88 IRAK4 (0.37) IRAK4PTGESPTGS2MKNK1SYK
SCHEMBL12057674 0.87 BTK (0.40) SYK
SCHEMBL12058133 0.84 NAMPT (0.38) IRAK4PTGESMKNK1SYK
SCHEMBL12057970 0.84 IRAK4 (0.33) IRAK4PTGESPTGS2SYK
SCHEMBL12057672 0.84 PTGES (0.39) IRAK4PTGESPTGS2MKNK1SYK
SCHEMBL12058194 0.82 IRAK4 (0.37) IRAK4APPPTGESPTGS2MKNK1
SCHEMBL12057752 0.82 MKNK1 (0.36) IRAK4PTGESPTGS2MKNK1SYK

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 706/4885PTPN11 368/4885APP 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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