SCHEMBL1141497

SCHEMBL1141497

CC(O)c1c(-c2ccc(C(C)CNC(=O)OC(C)(C)C)cc2)ccc2nn(C3CCCCO3)cc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.34
ABL1 P00519 1/20 0.33
CD274 Q9NZQ7 1/20 0.32
BRAF P15056 1/20 0.31
KRAS P01116 1/20 0.31
ACACB O00763 2/20 0.31
PCSK9 Q8NBP7 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
SCHEMBL1141389 0.92 ABL1 (0.34) ATRABL1CD274BRAFKRAS
SCHEMBL1142079 0.91 ABL1 (0.33) ATRABL1CD274BRAFKRAS
SCHEMBL1141153 0.90 ACACB (0.33) ATRABL1CD274BRAFKRAS
SCHEMBL1141222 0.90 ABL1 (0.33) ATRABL1CD274BRAFKRAS
SCHEMBL1141305 0.90 ABL1 (0.33) ATRABL1CD274BRAFKRAS
SCHEMBL1141602 0.89 JAK2 (0.32) ATRABL1CD274BRAFACACB
SCHEMBL1141461 0.88 KDM4D (0.34) ATRABL1CD274BRAFKRAS
SCHEMBL1141723 0.88 KRAS (0.32) ATRABL1CD274BRAFKRAS
SCHEMBL1141363 0.87 ATR (0.32) ATRABL1KRAS
SCHEMBL1141569 0.86 KDM4D (0.36) ATRABL1CD274BRAFACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATR 2956/4885ABL1 72/4885CD274 4882/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 ATR 1187/4885ABL1 39/4885CD274 4148/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 ATR 2910/4885ABL1 67/4885CD274 4882/4885

“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.