SCHEMBL1362049

SCHEMBL1362049

CC(=O)Nc1cccc(-c2ccnc3[nH]cc(C(=O)c4cccc(Cl)c4Cl)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.44
JAK2 O60674 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
PLK1 P53350 1/20 0.42
BTK Q06187 1/20 0.42
KIT P10721 1/20 0.41
MAPT P10636 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
JAK3 P52333 5/20 0.41
LRRK2 Q5S007 1/20 0.40
SYK P43405 1/20 0.40
MELK Q14680 1/20 0.39

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
SCHEMBL878903 0.87 JAK3 (0.47) EGFRNTRK1PIK3C3PLK1BTK
SCHEMBL856982 0.87 EGFR (0.45) EGFRALDH1A1LMNABTKLRRK2
SCHEMBL878789 0.85 EGFR (0.49) EGFRNTRK1KDM4EPIK3C3PLK1
SCHEMBL878876 0.85 JAK3 (0.47) EGFRNTRK1PIK3C3PLK1KIT
SCHEMBL857272 0.84 LRRK2 (0.43) EGFRNTRK1ALDH1A1BTKKIT
SCHEMBL856895 0.83 PRKCI (0.51) EGFRNTRK1ALDH1A1BTKAURKA
SCHEMBL858098 0.83 NR1H2 (0.43) EGFRBTKJAK3LRRK2SYK
SCHEMBL857037 0.83 CYP1A2 (0.51) EGFRALDH1A1POLBBTKAURKB
SCHEMBL1364146 0.82 JAK3 (0.46) EGFRNTRK1PIK3C3PLK1BTK
SCHEMBL878722 0.82 JAK3 (0.46) EGFRNTRK1KDM4EALDH1A1PIK3C3

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 28 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
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-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-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-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 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-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 EGFR 609/4885NTRK1 1265/4885JAK2 504/4885
US-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 EGFR 199/4885NTRK1 12/4885JAK2 1542/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885NTRK1 836/4885JAK2 244/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885NTRK1 836/4885JAK2 244/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885NTRK1 836/4885JAK2 244/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885NTRK1 836/4885JAK2 244/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885NTRK1 836/4885JAK2 244/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 EGFR 252/4885NTRK1 14/4885JAK2 1621/4885

“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.