SCHEMBL856825

SCHEMBL856825

O=C(O)/C=C/c1cccc(-c2cnc3[nH]cc(C(=O)c4ccccc4F)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 3/20 0.54
AXL P30530 9/20 0.48
AAK1 Q2M2I8 1/20 0.46
PIM2 Q9P1W9 1/20 0.44
DYRK3 O43781 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
ABL1 P00519 2/20 0.44
EGFR P00533 2/20 0.44
NTRK1 P04629 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
CDK1 P06493 2/20 0.44
CSF1R P07333 2/20 0.44
LYN P07948 2/20 0.44
MARK3 P27448 2/20 0.44
FLT4 P35916 2/20 0.44
FLT3 P36888 2/20 0.44
FRK P42685 2/20 0.44
MAPK9 P45984 2/20 0.44

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
SCHEMBL1362188 1.00 PAK1 (0.54) PAK1AXLAAK1PIM2DYRK3
SCHEMBL858700 0.90 PAK1 (0.56) PAK1AXLAAK1PAK4
SCHEMBL857825 0.90 PAK1 (0.44) PAK1AXLAAK1PIM2DYRK3
SCHEMBL856965 0.87 AAK1 (0.48) PAK1AXLAAK1NTRK1ITK
SCHEMBL1363839 0.86 PAK1 (0.50) PAK1AXLAAK1PIM2DYRK3
SCHEMBL857627 0.86 PAK1 (0.50) PAK1AXLAAK1PIM2DYRK3
SCHEMBL858616 0.83 PAK1 (0.54) PAK1AXLAAK1PIM2PAK4
SCHEMBL857500 0.82 NTRK1 (0.58) PAK1AXLAAK1DYRK3ROCK2
SCHEMBL414830 0.81 BRD4 (0.48) PAK1AXLAAK1PIM2DYRK3
SCHEMBL414831 0.81 BRD4 (0.48) PAK1AXLAAK1PIM2DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
CN-1925855-B Compounds and methods for development of Ret modulators PLEXXIKON INC 2010-06-16 CN claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed
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-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
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
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-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

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 PAK1 113/4885AXL 861/4885AAK1 120/4885
US-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 PAK1 298/4885AXL 38/4885AAK1 2341/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885AXL 1354/4885AAK1 335/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885AXL 1354/4885AAK1 335/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885AXL 1354/4885AAK1 335/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885AXL 1354/4885AAK1 335/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PAK1 187/4885AXL 1354/4885AAK1 335/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 PAK1 562/4885AXL 73/4885AAK1 2699/4885

“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.