SCHEMBL858836

SCHEMBL858836

O=[N+]([O-])c1cccc(Nc2ccnc3[nH]ccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.64
ERBB2 P04626 2/20 0.59
TNNI3K Q59H18 1/20 0.58
ROCK1 Q13464 1/20 0.51
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
PRKCA P17252 3/20 0.50
CDK2 P24941 3/20 0.49
CDK4 P11802 1/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
ALK Q9UM73 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2881956 0.84 TTBK1 (0.56) PTK6TNNI3KROCK1ABL1CDK2
SCHEMBL2887118 0.79 BCL6 (0.46) PTK6TNNI3KROCK1EGFRKMT2A
SCHEMBL2886078 0.79 TTBK1 (0.43) PTK6ERBB2TNNI3KROCK1EGFR
SCHEMBL19633804 0.78 FADS1 (0.56) PTK6ERBB2ROCK1EGFRABCG2
SCHEMBL675486 0.78 PTK6 (1.00) PTK6ERBB2EGFRSRCALK
SCHEMBL7998147 0.78 ALDH1A1 (0.53) PTK6TNNI3KROCK1CDK2CDK4
SCHEMBL858193 0.78 TNNI3K (0.60) TNNI3KROCK1CDK2CDK4EGFR
SCHEMBL858313 0.78 TTBK1 (0.63) PTK6ERBB2TNNI3KROCK1EGFR
SCHEMBL859053 0.78 TNNI3K (0.64) TNNI3KROCK1ABL1BCRSMN1; SMN2
SCHEMBL858223 0.78 TTBK1 (0.63) PTK6ERBB2TNNI3KROCK1

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 13 patents. 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-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-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-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 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-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-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 PTK6 241/4885ERBB2 214/4885TNNI3K 134/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 PTK6 441/4885ERBB2 305/4885TNNI3K 173/4885

“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.