SCHEMBL855829

SCHEMBL855829

O=C(c1cccc2c1C=CC2)c1c[nH]c2ncc(Nc3ccc(N4CCOCC4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.43
DYRK1A Q13627 3/20 0.43
MAPK10 P53779 6/20 0.39
MAPK9 P45984 3/20 0.38
EGFR P00533 1/20 0.38
TTBK1 Q5TCY1 1/20 0.38
TTBK2 Q6IQ55 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
PTK2 Q05397 1/20 0.37
PTK2B Q14289 1/20 0.37
PKMYT1 Q99640 1/20 0.37
PAK1 Q13153 2/20 0.37
SLC2A1 P11166 1/20 0.37

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
SCHEMBL855897 0.92 CLK1 (0.38) CLK1DYRK1AGAAMAPTMAPK1
SCHEMBL856419 0.85 PAK1 (0.42) CLK1DYRK1AMAPK9EGFRIGF1R
SCHEMBL7999353 0.83 FLT3 (0.47) CLK1DYRK1AMAPK10MAPK9EGFR
SCHEMBL14620820 0.82 TTBK1 (0.46) CLK1DYRK1AMAPK10MAPK9EGFR
SCHEMBL878884 0.78 CLK1 (0.54) CLK1DYRK1AMAPK10MAPTMAPK1
SCHEMBL856204 0.78 AAK1 (0.41) CLK1DYRK1AEGFRMAPTSMN1; SMN2
SCHEMBL7991246 0.76 FGFR4 (0.55) CLK1DYRK1AGAAMAPTMAPK1
SCHEMBL8003003 0.75 IGF1R (0.44) CLK1DYRK1ATTBK1TTBK2GAA
SCHEMBL14845842 0.74 HPGDS (0.38) CLK1DYRK1ATTBK1TTBK2GAA
SCHEMBL14620853 0.71 TTBK1 (0.41) CLK1DYRK1AMAPK10MAPK9TTBK1

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 10 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-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885MAPK10 86/4885

“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.