SCHEMBL5688281

SCHEMBL5688281

O=C1Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 20/20 1.00
CDK5 Q00535 18/20 1.00
CDK5R1 Q15078 18/20 1.00
CCNB2 O95067 18/20 1.00
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CCNB3 Q8WWL7 18/20 1.00
GSK3A P49840 3/20 0.72
CCNA2 P20248 3/20 0.69
CDK2 P24941 3/20 0.69
CCNA1 P78396 3/20 0.69
CCNT1 O60563 2/20 0.69
CDK9 P50750 2/20 0.69
KDM4E B2RXH2 1/20 0.69
MEN1 O00255 1/20 0.69
CDC7 O00311 1/20 0.69
PLK4 O00444 1/20 0.69
CHEK1 O14757 1/20 0.69
AURKA O14965 1/20 0.69
NPC1 O15118 1/20 0.69

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
SCHEMBL16085082 0.90 GSK3B (0.85) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL16085077 0.86 GSK3B (0.78) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL30319778 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL5688110 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL5688273 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL30319801 0.85 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL30319804 0.84 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL5688457 0.84 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL16085080 0.83 GSK3B (0.74) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL16085081 0.82 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1

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 33 patents — showing the first 20. 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
EP-2827869-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO Brown, Dennis (US) 2015-01-28 EP claimed
WO-2013142817-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS (US) 2013-09-26 WO 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
WO-1999065910-A9 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US HEALTH (US) 2000-03-16 WO 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-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
EP-1086105-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-28 EP disclosed
WO-1999065910-A9 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS US HEALTH (US) 2000-03-16 WO disclosed
WO-1999065910-A1 FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-23 WO 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 (7 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 GSK3B 387/4885CDK5 785/4885CDK5R1 1060/4885
US-20060217368-A1 Drug for nerve regeneration GSK3A, BDNF, GSK3B GSK3B 3/4885CDK5 112/4885CDK5R1 211/4885
US-20200383931-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME UGT2B7, UGT1A7, CYP3A7 GSK3B 387/4885CDK5 785/4885CDK5R1 1060/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 GSK3B 37/4885CDK5 1516/4885CDK5R1 1227/4885
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO CYP7A1, CYP3A7, UGT2B7 GSK3B 222/4885CDK5 3869/4885CDK5R1 4028/4885
US-20020042412-A1 Fused azepinone cyclin dependent kinase inhibitors CCNI, CCNK, CDKN1A GSK3B 4154/4885CDK5 42/4885CDK5R1 66/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 GSK3B 37/4885CDK5 1516/4885CDK5R1 1227/4885

“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.