SCHEMBL3850179

SCHEMBL3850179

O=C1Nc2ccccc2C1=C1Nc2ccc(Br)cc2C1=NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.50
TGM2 P21980 1/20 0.47
CES1 P23141 1/20 0.47
AGTR1 P30556 2/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CCNB2 O95067 2/20 0.43
CDK1 P06493 2/20 0.43
CCNB1 P14635 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
NTRK1 P04629 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
Indirubin 2 SCHEMBL22215161 0.95 AGTR1 (0.49) LRRK2TGM2CES1AGTR1MAPT
Indirubin 2 SCHEMBL30380962 0.95 AGTR1 (0.49) LRRK2TGM2CES1AGTR1MAPT
6Bio SCHEMBL21067440 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
SCHEMBL22300057 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL4997980 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL470802 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL14088703 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL30249771 0.91 AGTR1 (0.48) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL27160645 0.90 AGTR1 (0.47) LRRK2TGM2CES1AGTR1CCNB2
6Bio SCHEMBL29975657 0.90 AGTR1 (0.47) LRRK2TGM2CES1AGTR1CCNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3600259-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME Phosphorex, Inc. (US) 2020-02-05 EP 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
WO-2018183631-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME PHOSPHOREX, INC. (US) 2018-10-04 WO 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-7572923-B2 CDK(Cyclin-dependent kinase) inhibitor; cancer, apoptosis; 5-NH-trimethyl-indirubin-3-oxime ANYGEN CO., LTD. (KR) 2009-08-11 US disclosed
US-20070155816-A1 CDK(Cyclin-dependent kinase) inhibitor; cancer, apoptosis; 5-NH-trimethyl-indirubin-3-oxime ANYGEN CO., LTD. (KR) 2007-07-05 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 (6 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 LRRK2 1270/4885TGM2 815/4885CES1 647/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 LRRK2 1497/4885TGM2 2971/4885CES1 888/4885
US-20200383931-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME UGT2B7, UGT1A7, CYP3A7 LRRK2 1270/4885TGM2 815/4885CES1 647/4885
US-20070155816-A1 CDK(Cyclin-dependent kinase) inhibitor; cancer, apoptosis; 5-NH-trimethyl-indirubin-3-oxime CDK7, CDKL5, CDK3 LRRK2 1862/4885TGM2 2543/4885CES1 3221/4885
US-20150087687-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO CYP7A1, CYP3A7, UGT2B7 LRRK2 3651/4885TGM2 1072/4885CES1 475/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 LRRK2 1497/4885TGM2 2971/4885CES1 888/4885

“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.