SCHEMBL878725

SCHEMBL878725

COC(c1ccc(NCc2ccc(Cl)cc2)nc1)c1c[nH]c2ncc(-c3cccnc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.45
DYRK1A Q13627 9/20 0.43
CLK4 Q9HAZ1 2/20 0.43
KIT P10721 2/20 0.42
CLK1 P49759 6/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
NEK1 Q96PY6 1/20 0.40
CSF1R P07333 3/20 0.39
CYP2D6 P10635 1/20 0.39
PDPK1 O15530 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38

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
SCHEMBL878720 0.87 CSF1R (0.48) DYRK1ACLK4KITCYP1A2CYP3A4
SCHEMBL878787 0.85 CAMKK2 (0.42) KITCYP1A2CYP3A4CYP2C19CSF1R
SCHEMBL857418 0.76 CSF1R (0.65) GPR55DYRK1ACLK4KITCLK1
SCHEMBL878801 0.75 CSF1R (0.48) DYRK1ACLK4KITCYP3A4CYP2C19
SCHEMBL1268047 0.73 CSF1R (0.50) GPR55DYRK1ACLK4KITCYP1A2
SCHEMBL878745 0.73 NEK1 (0.49) DYRK1AKITCLK1NEK1PDPK1
SCHEMBL1266773 0.72 DRD2 (0.35) DYRK1ACLK4CYP1A2CYP3A4CSF1R
SCHEMBL413620 0.71 NEK1 (0.47) DYRK1AKITNEK1PDPK1ABL1
SCHEMBL14197523 0.70 CYP2C19 (0.44) KITCYP1A2CYP3A4CYP2C19CSF1R
SCHEMBL3505412 0.70 HDAC3 (0.48) DYRK1AKITNEK1PDPK1JAK2

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 36 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-9550768-B2 Kinase modulation and indications therefor PLEXXIKON INC. (US) 2017-01-24 US disclosed
US-9487515-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2016-11-08 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-9169250-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2015-10-27 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2015-09-24 US disclosed
US-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR DAIICHI SANKYO, INC. 2014-08-28 US disclosed
US-8722702-B2 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC. (US) 2014-05-13 US disclosed
US-20130274259-A1 KINASE MODULATION AND INDICATIONS THEREFOR DAIICHI SANKYO, INC. 2013-10-17 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-7846941-B2 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. (US) 2010-12-07 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
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-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor PLEXXIKON INC 2009-03-19 US disclosed
EP-1885723-A2 PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2008-02-13 EP disclosed
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor PLEXXIKON, INC. 2007-02-08 US disclosed
WO-2007013896-A2 PYRROL (2,3-B) PYRIDINE DERIVATIVES PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-02-01 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 (10 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 GPR55 3611/4885DYRK1A 646/4885CLK4 973/4885
US-20130274259-A1 KINASE MODULATION AND INDICATIONS THEREFOR FLT3, MET, BTK GPR55 2840/4885DYRK1A 2190/4885CLK4 3444/4885
US-20140243365-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 GPR55 287/4885DYRK1A 3201/4885CLK4 3282/4885
US-20090076046-A1 Compounds modulating c-fms and/or c-kit activity and uses therefor KIT, FLT3, FLT1 GPR55 287/4885DYRK1A 3201/4885CLK4 3282/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR55 2648/4885DYRK1A 604/4885CLK4 546/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR55 2648/4885DYRK1A 604/4885CLK4 546/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR55 2648/4885DYRK1A 604/4885CLK4 546/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 GPR55 2648/4885DYRK1A 604/4885CLK4 546/4885
US-20150265586-A1 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR KIT, FLT3, FLT1 GPR55 287/4885DYRK1A 3201/4885CLK4 3282/4885
US-20070032519-A1 Compounds modulating c-kit and c-fms activity and uses therefor KIT, FLT3, FLT1 GPR55 419/4885DYRK1A 2997/4885CLK4 2967/4885

“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.