SCHEMBL857146

SCHEMBL857146

c1csc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 11/20 0.59
AXL P30530 2/20 0.59
PIK3CD O00329 1/20 0.58
PIK3CA P42336 1/20 0.58
PIK3CB P42338 1/20 0.58
PIK3CG P48736 1/20 0.58
RIPK1 Q13546 3/20 0.53
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
NUDT1 P36639 1/20 0.49
CDK7 P50613 2/20 0.48
PLK4 O00444 2/20 0.48
ROCK2 O75116 2/20 0.48
PRKD3 O94806 2/20 0.48
MAP4K4 O95819 2/20 0.48
INSR P06213 2/20 0.48
CDK1 P06493 2/20 0.48
ROS1 P08922 2/20 0.48
FER P16591 2/20 0.48
CDK2 P24941 2/20 0.48

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
SCHEMBL4831501 0.79 CDK8 (0.81) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL14365352 0.79 CDK8 (0.47) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL14365331 0.75 CDK8 (0.55) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL29569140 0.75 PDGFRB (0.55) CDK8PDGFRBPDGFRACHEK2CHEK1
SCHEMBL13917340 0.75 PDGFRB (0.55) CDK8PDGFRBPDGFRACHEK2CHEK1
SCHEMBL410704 0.75 CDK8 (1.00) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL858420 0.75 CDK8 (0.59) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL858281 0.74 CDK8 (0.54) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL16186619 0.74 CDK8 (0.58) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL416750 0.73 PIK3CA (1.00) CDK8AXLPIK3CDPIK3CAPIK3CB

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
EP-1696920-B1 COMPOUNDS AND METHODS FOR DEVELOPMENT OF RET MODULATORS PLEXXIKON INC (US) 2014-10-29 EP disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
US-20070049615-A1 Compounds and methods for development of Ret modulators PLEXXIKON, INC. 2007-03-01 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 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-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885PIK3CD 139/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885PIK3CD 139/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885PIK3CD 139/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885PIK3CD 139/4885
US-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 CDK8 422/4885AXL 4652/4885PIK3CD 1329/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 CDK8 2155/4885AXL 73/4885PIK3CD 4141/4885

“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.