SCHEMBL12057970

SCHEMBL12057970

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ PTGES O14684 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SYK P43405 4/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.31
▸ BTK Q06187 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
SCHEMBL12057969 0.91 APP (0.37) IRAK4PTGESPTGS2HDAC6SYK
SCHEMBL12057672 0.87 PTGES (0.39) IRAK4PTGESPTGS2RAB9ASYK
SCHEMBL12058194 0.85 IRAK4 (0.37) IRAK4PTGESPTGS2SYK
SCHEMBL12057675 0.85 BTK (0.41) SYKBTK
SCHEMBL12058199 0.84 IRAK4 (0.34) IRAK4PTGESPTGS2SYK
SCHEMBL12057769 0.83 IRAK4 (0.34) IRAK4PTGESHDAC6SYK
SCHEMBL12057996 0.83 PTGES (0.40) IRAK4PTGES
SCHEMBL12058044 0.83 IRAK4 (0.37) IRAK4SYKBTK
SCHEMBL12037662 0.83 IRAK4 (0.52) IRAK4
SCHEMBL12057767 0.83 GPR6 (0.34) IRAK4HDAC6SYK

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 706/4885TLR8 177/4885TLR7 35/4885

“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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