SCHEMBL3781571

SCHEMBL3781571

CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ccc3[nH]nc(C#N)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRA6 Q16445 1/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
NTRK1 P04629 2/20 0.38
DYRK1A Q13627 7/20 0.38
JAK3 P52333 1/20 0.36
GSK3B P49841 2/20 0.36
MAP4K4 O95819 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3A P49840 1/20 0.36
LRRK2 Q5S007 2/20 0.36
NTRK3 Q16288 1/20 0.36

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
SCHEMBL1141533 0.84 GSK3B (0.48) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141675 0.84 PRKAA1 (0.58) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141348 0.83 JAK2 (0.46) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141769 0.83 JAK2 (0.46) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141424 0.83 JAK2 (0.48) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141610 0.83 JAK2 (0.51) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1141213 0.82 JAK2 (0.47) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL27722694 0.81 JAK2 (0.44) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1142174 0.81 JAK2 (0.43) JAK2GABRA1GABRG2GABRB3GABRA5
SCHEMBL12009240 0.81 JAK2 (0.43) JAK2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252945-B2 Protective agent for retinal neuronal cell comprising indazole derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 2012-08-28 US disclosed
US-8252945-B2 Protective agent for retinal neuronal cell comprising indazole derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 2012-08-28 US disclosed
US-8252945-B2 Protective agent for retinal neuronal cell comprising indazole derivative as active ingredient UBE INDUSTRIES, LTD. (JP) 2012-08-28 US 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
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
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 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
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 US disclosed
US-20090012123-A1 Protective Agent for Retinal Neuronal Cell Comprising Indazole Derivative as Active Ingredient SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-08 US disclosed
US-20090012123-A1 Protective Agent for Retinal Neuronal Cell Comprising Indazole Derivative as Active Ingredient SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-08 US disclosed
US-20090012123-A1 Protective Agent for Retinal Neuronal Cell Comprising Indazole Derivative as Active Ingredient SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-01-08 US disclosed
EP-1870099-A1 PROTECTIVE AGENT FOR RETINAL NEURONAL CELL COMPRISING INDAZOLE DERIVATIVE AS ACTIVE INGREDIENT Ube Industries, Ltd. (JP) 2007-12-26 EP 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 (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-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 JAK2 629/4885GABRA1 1748/4885GABRG2 2750/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 JAK2 317/4885GABRA1 2788/4885GABRG2 3234/4885
US-20090012123-A1 Protective Agent for Retinal Neuronal Cell Comprising Indazole Derivative as Active Ingredient GRIK3, ALDH1A2, GRIN3A JAK2 4880/4885GABRA1 729/4885GABRG2 542/4885

“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.