SCHEMBL857125

SCHEMBL857125

Nc1cccc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 13/20 0.69
AXL P30530 2/20 0.69
CDK7 P50613 2/20 0.66
CCNT1 O60563 1/20 0.66
CCND1 P24385 1/20 0.66
CCNC P24863 1/20 0.66
CDK9 P50750 1/20 0.66
CCNH P51946 1/20 0.66
MNAT1 P51948 1/20 0.66
CDK6 Q00534 1/20 0.66
MAP4K4 O95819 3/20 0.62
PLK4 O00444 2/20 0.62
ROCK2 O75116 2/20 0.62
PRKD3 O94806 2/20 0.62
INSR P06213 2/20 0.62
CDK1 P06493 2/20 0.62
ROS1 P08922 2/20 0.62
FER P16591 2/20 0.62
CDK2 P24941 2/20 0.62
MARK3 P27448 2/20 0.62

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 0.83 CDK8 (0.81) CDK8AXLCDK7CCNT1CCND1
SCHEMBL3136284 0.83 CDK8 (0.71) CDK8AXLCDK7CCNT1CCND1
SCHEMBL4294342 0.83 PIK3CA (0.64) CDK8AXLCDK7CCNT1CCND1
SCHEMBL12127266 0.82 RIPK1 (0.71) CDK8AXLCDK7CCNT1CCND1
SCHEMBL410704 0.82 CDK8 (1.00) CDK8AXLCDK7CCNT1CCND1
SCHEMBL4165829 0.81 RIPK1 (0.69) CDK8AXLCDK7CCNT1CCND1
SCHEMBL857038 0.81 CDK8 (0.69) CDK8AXLCDK7CCNT1CCND1
SCHEMBL31064962 0.81 RIPK1 (0.69) CDK8AXLCDK7CCNT1CCND1
SCHEMBL30368585 0.80 CDK8 (1.00) CDK8AXLCDK7CCNT1CCND1
SCHEMBL299518 0.80 CDK8 (1.00) CDK8AXLCDK7CCNT1CCND1

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 39 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
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-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 US disclosed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO disclosed
CN-101448827-A Indole derivatives ASTRAZENECA AB (SE) 2009-06-03 CN disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 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
EP-1828180-A1 1H-PYRROLO[2,3-BETA]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 EP disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 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 (5 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 1354/4885CDK7 124/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 CDK8 525/4885AXL 1542/4885CDK7 401/4885

“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.