SCHEMBL857193

SCHEMBL857193

c1ccc(CNc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
JAK2 O60674 3/20 0.51
PTK2 Q05397 2/20 0.51
IGF1R P08069 2/20 0.51
KDR P35968 2/20 0.51
ROCK1 Q13464 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
DAPK3 O43293 1/20 0.51
PRKD3 O94806 1/20 0.51
MAP4K4 O95819 1/20 0.51
PAK4 O96013 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
FGFR1 P11362 1/20 0.51
PRKACA P17612 1/20 0.51
FLT1 P17948 1/20 0.51
LTK P29376 1/20 0.51
GRK5 P34947 1/20 0.51
MAP2K2 P36507 1/20 0.51

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
SCHEMBL30009307 0.79 IKBKB (0.68) JAK2PTK2IGF1RKDRROCK1
SCHEMBL20508767 0.78 NUDT1 (0.48) JAK2PTK2IGF1RKDRROCK1
SCHEMBL31197362 0.76 HTR1A (0.69) PKMIGF1RKDRCDK8EGFR
SCHEMBL858031 0.76 TNNI3K (0.58) JAK2PTK2IGF1RKDRROCK1
SCHEMBL3051350 0.76 HTR1A (0.69) PKMIGF1RKDRCDK8EGFR
SCHEMBL4354437 0.75 JAK2 (0.68) JAK2RETAURKBEGFRJAK1
SCHEMBL4791504 0.74 IKBKB (0.70) JAK2PTK2IGF1RKDRROCK1
SCHEMBL6559985 0.74 ROCK2 (0.60) JAK2ROCK1PRKD3MAP4K4PRKACA
SCHEMBL14462518 0.74 IKBKB (0.57) JAK2PTK2IGF1RKDRROCK1
SCHEMBL1683389 0.73 PRKCI (0.46) JAK2PTK2IGF1RKDRROCK1

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 26 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
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

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 PKM 713/4885JAK2 504/4885PTK2 114/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PKM 453/4885JAK2 244/4885PTK2 118/4885

“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.