SCHEMBL1141996

SCHEMBL1141996

CC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.61
CLK1 P49759 2/20 0.61
CDK5 Q00535 2/20 0.61
DYRK1A Q13627 2/20 0.61
DYRK3 O43781 1/20 0.61
CLK2 P49760 1/20 0.61
CLK3 P49761 1/20 0.61
CDK5R1 Q15078 1/20 0.61
DYRK2 Q92630 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
TRPA1 O75762 7/20 0.54
ROCK2 O75116 5/20 0.52
PIM1 P11309 4/20 0.52
AURKB Q96GD4 4/20 0.52
QPCT Q16769 1/20 0.51
QPCTL Q9NXS2 1/20 0.51
JAK2 O60674 2/20 0.49
PAK4 O96013 1/20 0.49
KDR P35968 1/20 0.49

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
Hydrochloric Acid SCHEMBL1142046 0.98 GSK3B (0.59) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL1141435 0.88 FGFR1 (0.61) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL29732812 0.87 GSK3B (0.65) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL11911439 0.87 GSK3B (0.65) GSK3BCLK1CDK5DYRK1ADYRK3
Hydrochloric Acid SCHEMBL1141329 0.86 FGFR1 (0.59) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL1141318 0.84 ROCK2 (0.53) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL19922226 0.84 CLK1 (0.68) GSK3BCLK1CDK5DYRK1ADYRK3
Hydrochloric Acid SCHEMBL1141660 0.83 ROCK2 (0.52) GSK3BCLK1CDK5DYRK1ADYRK3
SCHEMBL1142257 0.82 TRPA1 (0.49) GSK3BCLK1CDK5DYRK1ADYRK3
Hydrochloric Acid SCHEMBL1142090 0.81 TRPA1 (0.48) GSK3BCLK1CDK5DYRK1ADYRK3

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628482-A1 Rho kinase inhiitors for use in the treatment of neuroblastoma Academisch Medisch Centrum (NL) 2013-08-21 EP claimed
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 US claimed
EP-2468729-A1 Novel indazole derivative UBE INDUSTRIES, LTD. (JP) 2012-06-27 EP claimed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 US claimed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 US claimed
US-20100216778-A1 PAIN REMEDY CONTAINING ROCK INHIBITOR ASTELLAS PHARMA INC. (JP) 2010-08-26 US claimed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 US claimed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US claimed
US-20090029970-A1 PAIN REMEDY CONTAINING ROCK INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-01-29 US claimed
EP-1854484-A1 PAIN REMEDY CONTAINING ROCK INHIBITOR Astellas Pharma Inc. (JP) 2007-11-14 EP claimed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US claimed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 EP claimed
US-20180110837-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-04-26 US disclosed
EP-2961405-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION The Brigham and Women's Hospital, Inc. (US) 2016-01-06 EP disclosed
US-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
WO-2014093773-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2014-06-19 WO disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US 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 (5 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-20150297679-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION MYADM, CD14, CD68 GSK3B 4381/4885CLK1 1495/4885CDK5 4835/4885
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 GSK3B 1406/4885CLK1 1203/4885CDK5 569/4885
US-20180110837-A1 METHODS AND ASSAYS RELATING TO MACROPHAGE DIFFERENTIATION MYADM, CD14, CD68 GSK3B 4381/4885CLK1 1495/4885CDK5 4835/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 GSK3B 512/4885CLK1 2967/4885CDK5 49/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 GSK3B 1341/4885CLK1 1196/4885CDK5 585/4885

“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.