SCHEMBL1141345

SCHEMBL1141345

CC(C)Oc1c(-c2ccc(C(C)(C)N)cc2)ccc2[nH]ncc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
METAP2 P50579 7/20 0.34
BTK Q06187 1/20 0.34
BRD4 O60885 1/20 0.33
S1PR1 P21453 1/20 0.33
AKT1 P31749 1/20 0.32
TRPA1 O75762 4/20 0.32
MKNK1 Q9BUB5 1/20 0.32
CYP1A2 P05177 1/20 0.32
TRPV1 Q8NER1 2/20 0.31

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 SCHEMBL1141709 0.99 CDK2 (0.36) CDK2CCNA1ALOX5APFEN1METAP2
SCHEMBL11911457 0.90 DHPS (0.39) CDK2CCNA1ALOX5APFEN1METAP2
SCHEMBL1141564 0.89 CDK2 (0.38) CDK2CCNA1ALOX5APFEN1METAP2
Hydrochloric Acid SCHEMBL1141946 0.88 CDK2 (0.38) CDK2CCNA1ALOX5APFEN1METAP2
SCHEMBL1141381 0.86 BRD4 (0.43) CDK2CCNA1ALOX5APFEN1METAP2
Hydrochloric Acid SCHEMBL1141500 0.85 BRD4 (0.42) CDK2CCNA1ALOX5APFEN1METAP2
SCHEMBL1141724 0.85 ROCK2 (0.33) CDK2CCNA1ALOX5APFEN1METAP2
SCHEMBL1142033 0.84 MAPT (0.42) CDK2CCNA1ALOX5APFEN1METAP2
Hydrochloric Acid SCHEMBL1141950 0.84 ROCK2 (0.32) CDK2CCNA1ALOX5APFEN1MKNK1
Hydrochloric Acid SCHEMBL1142039 0.83 MAPT (0.41) CDK2CCNA1ALOX5APFEN1METAP2

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 34 patents — showing the first 20. 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 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
CN-1863779-B indazole derivatives UBE INDUSTRIES 2010-05-05 CN 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-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 US claimed
CN-1863779-A Novel indazole derivative UBE INDUSTRIES (JP) 2006-11-15 CN claimed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 EP claimed
EP-1679308-B1 NOVEL INDAZOLE DERIVATIVE UBE INDUSTRIES (JP) 2013-07-24 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
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 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
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
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 CDK2 1389/4885CCNA1 2613/4885ALOX5AP 2785/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 CDK2 173/4885CCNA1 910/4885ALOX5AP 2150/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 CDK2 1467/4885CCNA1 2631/4885ALOX5AP 2844/4885

“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.