SCHEMBL1141482

SCHEMBL1141482

CC(C)(C)OC(=O)NC1(c2ccc(-c3ccc4c(cnn4C(=O)OC(C)(C)C)c3N)cc2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.38
▸ AKT2 P31751 1/20 0.36
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ SYK P43405 1/20 0.33
▸ ELANE P08246 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ LPAR1 Q92633 1/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RET P07949 1/20 0.30
▸ MAP2K4 P45985 1/20 0.30
▸ CTSL P07711 1/20 0.30
▸ CTSB P07858 1/20 0.30
▸ AURKB Q96GD4 2/20 0.30
▸ EEF2K O00418 1/20 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
SCHEMBL1141926 0.88 AKT1 (0.39) AKT1AKT2CNR1CNR2SYK
SCHEMBL1141689 0.86 AKT1 (0.36) AKT1AKT2CNR1CNR2KIT
SCHEMBL1141597 0.79 MAP2K4 (0.36) ELANEGSK3BDYRK1AMAP2K4CTSL
SCHEMBL1141491 0.79 GRM2 (0.43) AKT1HDAC1GSK3BAURKBEEF2K
SCHEMBL11911441 0.79 MAP2K4 (0.40) ELANEGSK3BDYRK1AMAP2K4AURKB
SCHEMBL27637408 0.78 ELANE (0.34) ELANEAURKBROCK2PIK3CAMTOR
SCHEMBL1141932 0.78 ABCB1 (0.35) ELANEGSK3BMAP2K4AURKBEEF2K
SCHEMBL1141935 0.77 CA2 (0.41) AKT1GSK3BAURKBEEF2KROCK2
SCHEMBL1141632 0.76 MAP2K4 (0.35) ELANEGSK3BDYRK1AMAP2K4AURKB
SCHEMBL17645678 0.76 AKT1 (0.48) AKT1AKT2CNR1CNR2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468729-B1 Novel indazole derivative UBE INDUSTRIES (JP) 2013-12-25 — — EP disclosed
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 — — US disclosed
EP-2468729-A1 Novel indazole derivative UBE INDUSTRIES, LTD. (JP) 2012-06-27 — — EP disclosed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 — — US disclosed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 — — US disclosed
CN-1863779-B indazole derivatives UBE INDUSTRIES 2010-05-05 — — CN disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 — — US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 — — US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 — — US disclosed
CN-1863779-A Novel indazole derivative UBE INDUSTRIES (JP) 2006-11-15 — — CN disclosed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 — — EP 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 (3 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-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 AKT1 28/4885AKT2 32/4885CNR1 943/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 AKT1 25/4885AKT2 33/4885CNR1 329/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 AKT1 28/4885AKT2 29/4885CNR1 1011/4885

“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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