SCHEMBL2862909

SCHEMBL2862909

C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2cccc(Br)n2)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.42
TRPA1 O75762 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
SCN9A Q15858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
ABCB1 P08183 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL13135986 1.00 PTPRB (0.42) PTPRBTRPA1AAK1SCN9ALIPG
SCHEMBL2866531 0.79 SYK (0.47)
SCHEMBL13135987 0.79 SYK (0.47)
SCHEMBL15240604 0.79 KMT2A (0.41) PTPRBTRPA1AAK1MAPTATM
SCHEMBL29265661 0.76 IRAK4 (0.42) TRPA1AAK1MAPTATMKMT2A
SCHEMBL16410312 0.76 IRAK4 (0.42) TRPA1AAK1MAPTATMKMT2A
SCHEMBL6903567 0.75 KMT2A (0.42) PTPRBTRPA1AAK1LIPGMAPT
SCHEMBL16587895 0.75 KMT2A (0.42) PTPRBTRPA1AAK1LIPGMAPT
SCHEMBL2408679 0.73 HCAR2 (0.41) PTPRBTRPA1LIPGMAPTATM
SCHEMBL2406309 0.72 KMT2A (0.40) PTPRBTRPA1MAPTATMKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
EP-1854793-A1 NOVEL AMINOPYRIDINE COMPOUND WITH Syk INHIBITORY ACTIVITY Japan Tobacco, Inc. (JP) 2007-11-14 EP disclosed
US-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO INC. (JP) 2006-09-14 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-20060205731-A1 Novel aminopyridine compounds having Syk inhibitory activity SYK, BTK, ZAP70 PTPRB 350/4885TRPA1 1534/4885AAK1 660/4885

“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.