SCHEMBL856982

SCHEMBL856982

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
CYP3A4 P08684 6/20 0.44
ROCK1 Q13464 3/20 0.44
CHUK O15111 2/20 0.44
INSR P06213 1/20 0.44
MAPK8 P45983 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
GSK3B P49841 2/20 0.43
CDK2 P24941 1/20 0.43
BTK Q06187 1/20 0.43
FYN P06241 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.39
ALOX15 P16050 1/20 0.39
P2RX7 Q99572 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
IKBKB O14920 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
SCHEMBL878715 0.88 CHUK (0.46) CYP3A4CHUKINSRMAPK8CAMKK2
SCHEMBL1362049 0.87 EGFR (0.51) EGFRBTKALDH1A1LRRK2LMNA
SCHEMBL858098 0.87 NR1H2 (0.43) EGFRCYP3A4CHUKCAMKK2BTK
SCHEMBL857802 0.86 BTK (0.45) EGFRCYP3A4ROCK1CHUKINSR
SCHEMBL857947 0.86 CHUK (0.49) EGFRCYP3A4ROCK1CHUKINSR
SCHEMBL857296 0.83 CHUK (0.46) EGFRCYP3A4ROCK1CHUKINSR
SCHEMBL878734 0.83 CYP3A4 (0.44) EGFRCYP3A4ROCK1CHUKINSR
SCHEMBL857272 0.82 LRRK2 (0.43) EGFRROCK1MAPK8GSK3BCDK2
SCHEMBL856895 0.82 PRKCI (0.51) EGFRCYP3A4ROCK1INSRMAPK8
SCHEMBL857037 0.81 CYP1A2 (0.51) EGFRCYP3A4ROCK1MAPK8GSK3B

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 37 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-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-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 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

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 609/4885CYP3A4 4851/4885ROCK1 787/4885
US-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 EGFR 199/4885CYP3A4 4802/4885ROCK1 325/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885CYP3A4 4658/4885ROCK1 369/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885CYP3A4 4658/4885ROCK1 369/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885CYP3A4 4658/4885ROCK1 369/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885CYP3A4 4658/4885ROCK1 369/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 EGFR 739/4885CYP3A4 4658/4885ROCK1 369/4885
US-20070049615-A1 Compounds and methods for development of Ret modulators RET, GFRA1, GFRA3 EGFR 252/4885CYP3A4 4859/4885ROCK1 564/4885

“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.