SCHEMBL4760428

SCHEMBL4760428

NC1CCN(c2ncccn2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2C19 P33261 1/20 0.49
HRH4 Q9H3N8 3/20 0.45
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PRKCQ Q04759 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ROCK2 O75116 2/20 0.42
DKK1 O94907 1/20 0.42
HRH3 Q9Y5N1 2/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AKT1 P31749 3/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL18239359 1.00 DYRK1A (0.49) DYRK1AKDM4ECYP2C19HRH4MKNK1
Hydrochloric Acid SCHEMBL18228230 0.98 DYRK1A (0.48) DYRK1AKDM4ECYP2C19HRH4MKNK1
Hydrochloric Acid SCHEMBL26086991 0.98 DYRK1A (0.48) DYRK1AKDM4ECYP2C19HRH4MKNK1
Hydrochloric Acid SCHEMBL26086988 0.98 DYRK1A (0.48) DYRK1AKDM4ECYP2C19HRH4MKNK1
SCHEMBL2070684 0.88 KDM4E (0.56) KDM4ECYP2C19ALDH1A1DKK1HRH3
Hydrochloric Acid SCHEMBL5219864 0.86 KDM4E (0.55) KDM4ECYP2C19ALDH1A1DKK1HRH3
Hydrochloric Acid SCHEMBL17025657 0.86 KDM4E (0.55) KDM4ECYP2C19ALDH1A1DKK1HRH3
SCHEMBL20064012 0.83 DPP4 (0.45) DYRK1AKDM4ECYP2C19HRH4ALDH1A1
SCHEMBL17296009 0.82 SCD (0.45) DYRK1AHRH4ROCK2HRH3AKT1
SCHEMBL17296000 0.82 SCD (0.45) DYRK1AHRH4ROCK2HRH3AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP 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 (4 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 DYRK1A 785/4885KDM4E 1241/4885CYP2C19 4412/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 DYRK1A 785/4885KDM4E 1241/4885CYP2C19 4412/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 DYRK1A 785/4885KDM4E 1241/4885CYP2C19 4412/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 DYRK1A 785/4885KDM4E 1241/4885CYP2C19 4412/4885

“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.