SCHEMBL5688264

SCHEMBL5688264

CC(C)(C)OC(=O)C1C(=O)N(C(=O)OC(C)(C)C)c2ccccc2-c2[nH]c3ccc(Br)cc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 1.00
GSK3B P49841 7/20 0.43
CCNB2 O95067 5/20 0.43
CCNB1 P14635 5/20 0.43
CCNB3 Q8WWL7 5/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
MDH2 P40926 5/20 0.38
MAPKAPK2 P49137 1/20 0.36
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
NPC1 O15118 1/20 0.34
PDPK1 O15530 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNT2 O60583 1/20 0.34

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
SCHEMBL30319855 1.00 CDK1 (1.00) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL15265046 0.81 CDK1 (0.69) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL5688965 0.80 CDK1 (0.67) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL30319875 0.80 CDK1 (0.67) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL15266228 0.79 CDK1 (0.65) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL5237362 0.69 CDK1 (0.81) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL12626743 0.64 CDK1 (0.47) CDK1TP53TSHR
SCHEMBL31499359 0.64 CDK1 (0.46) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL6007206 0.64 ALDH1A1 (0.50) CDK1GSK3BCCNB2CCNB1CCNB3
SCHEMBL5688664 0.64 CDK1 (0.68) CDK1GSK3BCCNB2CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US claimed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US claimed
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS (US) 2015-03-26 US claimed
US-20060217368-A1 Drug for nerve regeneration KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-28 US claimed
EP-1645286-A1 DRUG FOR NERVE REGENERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-12 EP claimed
EP-1086105-B1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-03-01 EP claimed
US-20020042412-A1 Fused azepinone cyclin dependent kinase inhibitors HEALTH AND HUMAN SERVICES, DEPARTMENT OF, GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE, THE 2002-04-11 US claimed
US-20230100193-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME CYTODIGM, INC. 2023-03-30 US disclosed
US-20200383931-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME CYTODIGM, INC. 2020-12-10 US disclosed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS (US) 2015-03-26 US disclosed
US-20060217368-A1 Drug for nerve regeneration KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-28 US disclosed
EP-1645286-A1 DRUG FOR NERVE REGENERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-12 EP disclosed
EP-1086105-B1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US GOV HEALTH & HUMAN SERV (US) 2006-03-01 EP disclosed
US-6610684-B2 Antiproliferative agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-08-26 US disclosed
US-20020042412-A1 Fused azepinone cyclin dependent kinase inhibitors HEALTH AND HUMAN SERVICES, DEPARTMENT OF, GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE, THE 2002-04-11 US 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 (8 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-20230100193-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME UGT2B7, UGT1A7, CYP3A7 CDK1 1069/4885GSK3B 387/4885CCNB2 1223/4885
US-20060217368-A1 Drug for nerve regeneration GSK3A, BDNF, GSK3B CDK1 435/4885GSK3B 3/4885CCNB2 2747/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CDK1 142/4885GSK3B 37/4885CCNB2 798/4885
US-20200383931-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME UGT2B7, UGT1A7, CYP3A7 CDK1 1069/4885GSK3B 387/4885CCNB2 1223/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK1 142/4885GSK3B 37/4885CCNB2 798/4885
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO CYP7A1, CYP3A7, UGT2B7 CDK1 999/4885GSK3B 222/4885CCNB2 718/4885
US-20020042412-A1 Fused azepinone cyclin dependent kinase inhibitors CCNI, CCNK, CDKN1A CDK1 13/4885GSK3B 4154/4885CCNB2 61/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK1 142/4885GSK3B 37/4885CCNB2 798/4885

“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.