SCHEMBL5688347

SCHEMBL5688347

CC(C)(C)OC(=O)n1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 1.00
CCNB2 O95067 16/20 1.00
CCNB1 P14635 16/20 1.00
CCNB3 Q8WWL7 16/20 1.00
GSK3B P49841 15/20 1.00
CDK5 Q00535 6/20 0.47
CDK5R1 Q15078 6/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
NPC1 O15118 1/20 0.47
PDPK1 O15530 1/20 0.47
CCNT1 O60563 1/20 0.47
CCNT2 O60583 1/20 0.47
ROCK2 O75116 1/20 0.47
GMNN O75496 1/20 0.47
CHEK2 O96017 1/20 0.47

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
SCHEMBL5688664 0.81 CDK1 (0.68) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL30319836 0.79 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5688624 0.79 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5688713 0.77 CDK1 (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5819148 0.77 CDK1 (0.66) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL6012263 0.77 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5801923 0.76 CDK1 (0.79) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL5688439 0.75 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL30319745 0.75 GSK3B (1.00) CDK1CCNB2CCNB1CCNB3GSK3B
SCHEMBL4152604 0.73 CCNB2 (0.57) CDK1CCNB2CCNB1CCNB3GSK3B

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 20 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-6610684-B2 Antiproliferative agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-08-26 US 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
CN-115969814-A Novel pharmaceutical formulations containing indirubin and derivatives thereof and methods of making and using the same 法斯瑞斯公司 2023-04-18 CN disclosed
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 1069/4885CCNB2 1223/4885CCNB1 1122/4885
US-20060217368-A1 Drug for nerve regeneration GSK3A, BDNF, GSK3B CDK1 435/4885CCNB2 2747/4885CCNB1 1596/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CDK1 142/4885CCNB2 798/4885CCNB1 474/4885
US-20200383931-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME UGT2B7, UGT1A7, CYP3A7 CDK1 1069/4885CCNB2 1223/4885CCNB1 1122/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK1 142/4885CCNB2 798/4885CCNB1 474/4885
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO CYP7A1, CYP3A7, UGT2B7 CDK1 999/4885CCNB2 718/4885CCNB1 730/4885
US-20020042412-A1 Fused azepinone cyclin dependent kinase inhibitors CCNI, CCNK, CDKN1A CDK1 13/4885CCNB2 61/4885CCNB1 34/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CDK1 142/4885CCNB2 798/4885CCNB1 474/4885

“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.