SCHEMBL855897

SCHEMBL855897

O=C(c1cccc2c1C=CC2)c1c[nH]c2ncc(Nc3ccc(N4CCCCC4)cc3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.38
DYRK1A Q13627 4/20 0.38
PAK1 Q13153 4/20 0.37
PKN1 Q16512 1/20 0.37
RAB9A P51151 7/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.36
SYK P43405 1/20 0.35
NPC1 O15118 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 1/20 0.35
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
FLT3 P36888 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
GFER P55789 2/20 0.34

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
SCHEMBL855829 0.92 CLK1 (0.43) CLK1DYRK1APAK1MAPTL3MBTL1
SCHEMBL856419 0.86 PAK1 (0.42) CLK1DYRK1APAK1PKN1CDK1
SCHEMBL14845842 0.82 HPGDS (0.38) CLK1DYRK1APAK1PKN1RAB9A
SCHEMBL856204 0.78 AAK1 (0.41) CLK1DYRK1APAK1PKN1RAB9A
SCHEMBL7999353 0.74 FLT3 (0.47) CLK1DYRK1APAK1RAB9AALDH1A1
SCHEMBL14620820 0.74 TTBK1 (0.46) CLK1DYRK1AMAPTALDH1A1L3MBTL1
SCHEMBL878884 0.70 CLK1 (0.54) CLK1DYRK1ARAB9AMAPTALDH1A1
SCHEMBL7991246 0.68 FGFR4 (0.55) CLK1DYRK1AMAPTALDH1A1L3MBTL1
SCHEMBL8003003 0.67 IGF1R (0.44) CLK1DYRK1ARAB9AMAPTALDH1A1
SCHEMBL8002952 0.66 AXL (0.51) DYRK1APAK1RAB9ASYKNPC1

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 604/4885PAK1 187/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CLK1 415/4885DYRK1A 604/4885PAK1 187/4885

“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.