SCHEMBL12057969

SCHEMBL12057969

NC(=O)c1ccc2oc(-c3c(Cl)nc(N)nc3N[C@H]3CC[C@@H](CO)C3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ PTGES O14684 5/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ MAPK8 P45983 2/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ SYK P43405 1/20 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
SCHEMBL12058199 0.93 IRAK4 (0.34) APPIRAK4PTPN11PTGESPTGS2
SCHEMBL12057970 0.91 IRAK4 (0.33) IRAK4PTGESPTGS2HDAC6SYK
SCHEMBL12057672 0.89 PTGES (0.39) IRAK4PTGESPTGS2MKNK1SYK
SCHEMBL12058194 0.88 IRAK4 (0.37) APPIRAK4PTGESPTGS2PIM1
SCHEMBL12057675 0.87 BTK (0.41) SYK
SCHEMBL12058044 0.85 IRAK4 (0.37) IRAK4PIM1PIM2MKNK1SYK
SCHEMBL12057996 0.85 PTGES (0.40) IRAK4PTGESPIM1PIM2
SCHEMBL12057752 0.84 MKNK1 (0.36) IRAK4PTGESPTGS2PIM1PIM2
SCHEMBL12057769 0.84 IRAK4 (0.34) IRAK4PTPN11PTGESMAPK14HDAC6
SCHEMBL12057767 0.83 GPR6 (0.34) IRAK4PTPN11HDAC6SYK

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 APP 973/4885IRAK4 706/4885PTPN11 368/4885

“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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