SCHEMBL2013949

SCHEMBL2013949

CC(=O)n1ncc2cc[c]cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
CSNK1A1 P48729 1/20 0.50
GSK3A P49840 1/20 0.50
LIMK1 P53667 1/20 0.50
IKBKE Q14164 1/20 0.50
MAPK14 Q16539 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CREBBP Q92793 1/20 0.35
ELANE P08246 1/20 0.35
ASAH1 Q13510 2/20 0.33
TFPI2 P48307 1/20 0.33
SLC22A12 Q96S37 2/20 0.33
KMO O15229 4/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL2016411 0.87 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL2466233 0.83 CHEK1 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
Bromide SCHEMBL2931155 0.82 CHEK1 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
Bromide SCHEMBL2933641 0.82 CHEK1 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL3871255 0.82 CHEK1 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
Hydrochloric Acid SCHEMBL2925512 0.82 CHEK1 (0.36) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL9209985 0.80 HSD17B10 (0.43) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL1087434 0.75 CHEK1 (0.60) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL2019948 0.73 BRD4 (0.31) CREBBP
SCHEMBL282391 0.73 CYP1A2 (0.35)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US claimed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US claimed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP claimed
CN-102753549-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2012-10-24 CN claimed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US claimed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO claimed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
EP-2516438-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-10-31 EP disclosed
CN-102753549-A Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC 2012-10-24 CN disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO 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 (2 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-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CHEK1 528/4885AURKA 296/4885DAPK3 829/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS CHEK1 528/4885AURKA 296/4885DAPK3 829/4885

“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.