SCHEMBL10239202

SCHEMBL10239202

CC(C)(C)OC(=O)N[C@@H]1CCC[C@]2(CO2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GAA P10253 2/20 0.43
EPHX1 P07099 2/20 0.42
CTSK P43235 2/20 0.41
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
HSD11B1 P28845 2/20 0.36
EPHX2 P34913 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 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
SCHEMBL10239268 1.00 BTK (0.50) BTKCA1CA2GAAEPHX1
SCHEMBL31402079 1.00 BTK (0.50) BTKCA1CA2GAAEPHX1
SCHEMBL15294478 1.00 BTK (0.50) BTKCA1CA2GAAEPHX1
SCHEMBL570579 0.85 GAA (0.49) BTKCA1CA2GAAEPHX1
SCHEMBL509300 0.82 BTK (0.48) BTKCA1CA2GAAEPHX1
SCHEMBL12528056 0.82 BTK (0.48) BTKCA1CA2GAAEPHX1
SCHEMBL15540916 0.81 BTK (0.54) BTKCA1CA2GAAEPHX1
SCHEMBL21549474 0.81 BTK (0.54) BTKCA1CA2GAAEPHX1
SCHEMBL13961431 0.79 BTK (0.52) BTKCA1CA2GAAEPHX1
SCHEMBL18928233 0.79 BTK (0.52) BTKCA1CA2GAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 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-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 BTK 349/4885CA1 4121/4885CA2 2999/4885

“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.