SCHEMBL857974

SCHEMBL857974

OCc1cccc(-c2cnc3[nH]ccc3c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 18/20 1.00
AXL P30530 2/20 0.63
CDK7 P50613 2/20 0.61
MAP4K4 O95819 2/20 0.61
CHEK2 O96017 2/20 0.61
CDK1 P06493 2/20 0.61
FES P07332 2/20 0.61
ROS1 P08922 2/20 0.61
FER P16591 2/20 0.61
FLT4 P35916 2/20 0.61
KDR P35968 2/20 0.61
IRAK1 P51617 2/20 0.61
ROCK1 Q13464 2/20 0.61
PKN2 Q16513 2/20 0.61
MARK2 Q7KZI7 2/20 0.61
MINK1 Q8N4C8 2/20 0.61
AURKB Q96GD4 2/20 0.61
SLK Q9H2G2 2/20 0.61
MKNK2 Q9HBH9 2/20 0.61
STK17A Q9UEE5 2/20 0.61

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
SCHEMBL3431534 0.82 CDK8 (0.68) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL4165829 0.81 RIPK1 (0.69) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL31064962 0.81 RIPK1 (0.69) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL4831501 0.79 CDK8 (0.81) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL3136284 0.79 CDK8 (0.71) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL3348784 0.78 CDK8 (0.63) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL410704 0.78 CDK8 (1.00) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL857125 0.78 CDK8 (0.69) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL857038 0.78 CDK8 (0.69) CDK8AXLCDK7MAP4K4CHEK2
SCHEMBL12965684 0.76 INSR (0.64) CDK8AXLCDK7MAP4K4CHEK2

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 25 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-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 CDK8 185/4885AXL 861/4885CDK7 200/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885
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-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CDK8 56/4885AXL 1354/4885CDK7 124/4885

“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.