SCHEMBL1397487

SCHEMBL1397487

C[C@H](CN(C)C)Oc1nc(N)cnc1C#N

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.57
CHEK2 O96017 4/20 0.57
KCNH2 Q12809 9/20 0.54
CDK1 P06493 2/20 0.52
AURKA O14965 1/20 0.34
MARK3 P27448 1/20 0.34
PRKCD Q05655 1/20 0.34
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33

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
SCHEMBL12984885 1.00 CHEK1 (0.57) CHEK1CHEK2KCNH2CDK1AURKA
SCHEMBL1396863 1.00 CHEK1 (0.57) CHEK1CHEK2KCNH2CDK1AURKA
SCHEMBL19361937 0.81 CHEK1 (0.43) CHEK1CHEK2KCNH2CDK1MAPK8
SCHEMBL30600962 0.80 CHEK1 (0.51) CHEK1CHEK2KCNH2CDK1AURKA
SCHEMBL12984697 0.75 CDK1 (0.43) CHEK1CHEK2KCNH2CDK1
SCHEMBL14948567 0.75 CHEK1 (0.74) CHEK1CHEK2KCNH2CDK1
SCHEMBL20516611 0.75 CHEK1 (0.82) CHEK1CHEK2KCNH2CDK1
SCHEMBL20516616 0.75 CHEK1 (0.82) CHEK1CHEK2KCNH2CDK1
SCHEMBL30637885 0.75 CHEK1 (0.82) CHEK1CHEK2KCNH2CDK1
SCHEMBL1396935 0.74 CHEK1 (1.00) CHEK1CHEK2KCNH2CDK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776417-B1 5-(PYRIDIN-2-YL-AMINO)-PYRAZINE-2-CARBONITRILE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECH LTD (GB) 2018-10-31 EP disclosed
US-9765059-B2 5-(Pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-19 US disclosed
US-9765059-B2 5-(Pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-19 US disclosed
US-9765059-B2 5-(Pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-19 US disclosed
US-20160304493-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-20 US disclosed
US-20160304493-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-20 US disclosed
US-9403797-B2 5-(pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-02 US disclosed
US-9403797-B2 5-(pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-08-02 US disclosed
US-20150225372-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-13 US disclosed
US-20150225372-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-13 US disclosed
EP-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
EP-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
WO-2013068755-A1 5-(PYRIDIN-2-YL-AMINO)-PYRAZINE-2-CARBONITRILE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-05-16 WO disclosed
EP-2288601-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2011-03-02 EP disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 WO disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 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 (3 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-20160304493-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CHEK1, CHEK2, PLK1 CHEK1 1/4885CHEK2 2/4885KCNH2 3837/4885
US-20150225372-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CHEK1, CHEK2, PLK1 CHEK1 1/4885CHEK2 2/4885KCNH2 3837/4885
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B CHEK1 1/4885CHEK2 2/4885KCNH2 4039/4885

“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.