SCHEMBL1141926

SCHEMBL1141926

CN(C)c1c(-c2ccc(C3(NC(=O)OC(C)(C)C)CCCC3)cc2)ccc2c1cnn2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.39
▸ AKT2 P31751 1/20 0.35
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ PDE2A O00408 2/20 0.32
▸ RET P07949 4/20 0.32
▸ ELANE P08246 1/20 0.31
▸ KIT P10721 1/20 0.31
▸ SYK P43405 1/20 0.30
▸ USP30 Q70CQ3 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ LPAR1 Q92633 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 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
SCHEMBL1141482 0.88 AKT1 (0.38) AKT1AKT2CNR1CNR2RET
SCHEMBL1141689 0.85 AKT1 (0.36) AKT1AKT2CNR1CNR2PDE2A
SCHEMBL1141426 0.80 MAP2K4 (0.34) ELANEUSP30GSK3BDYRK1A
SCHEMBL11911449 0.79 MAP2K4 (0.37) RETELANEUSP30GSK3BDYRK1A
SCHEMBL1141589 0.79 GRM2 (0.40) AKT1GSK3B
SCHEMBL1141929 0.79 ELANE (0.33) ELANEUSP30
SCHEMBL1142108 0.79 ABCB1 (0.34) ELANE
SCHEMBL4198509 0.78 PTGER4 (0.41) AKT1GSK3B
SCHEMBL1142018 0.77 MAP2K4 (0.32) GSK3BDYRK1A
SCHEMBL1141427 0.77 POLB (0.36) RETUSP30GSK3BDYRK1A

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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