SCHEMBL618363

SCHEMBL618363

COc1nc(Nc2cc(NCC3CCNCC3)ncn2)cnc1C#N

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.64
CHEK2 O96017 5/20 0.64
KCNH2 Q12809 2/20 0.45

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
SCHEMBL10172584 0.90 CHEK1 (0.50) CHEK1CHEK2KCNH2
SCHEMBL620535 0.83 CHEK1 (0.44) CHEK1CHEK2KCNH2
SCHEMBL618362 0.80 CHEK1 (0.49) CHEK1CHEK2KCNH2
SCHEMBL617992 0.80 TBK1 (0.47) CHEK1CHEK2
SCHEMBL618244 0.78 CHEK1 (1.00) CHEK1CHEK2
SCHEMBL10220596 0.75 CHEK1 (0.43) CHEK1CHEK2KCNH2
SCHEMBL617396 0.74 CHEK1 (0.44) CHEK1CHEK2KCNH2
SCHEMBL14679287 0.73 CHEK1 (0.42) CHEK1CHEK2KCNH2
SCHEMBL13026918 0.72 CHEK1 (1.00) CHEK1CHEK2KCNH2
SCHEMBL1322480 0.71 CHEK1 (0.65) CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9040540-B2 5-(pyridin-2-yl-amino)-pyrazine-2-carbonitrile compounds and their therapeutic use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-05-26 US disclosed
US-20140315925-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-10-23 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
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 US disclosed
US-8058045-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-11-15 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
US-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-09 US disclosed
WO-2009044162-A1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-04-09 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 (5 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 CHEK1 1/4885CHEK2 2/4885KCNH2 2862/4885
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-20100311730-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, BUB1B CHEK1 1/4885CHEK2 2/4885KCNH2 1449/4885
US-20140315925-A1 5-(Pyridin-2-yl-Amino)-Pyrazine-2-Carbonitrile Compounds and Their Therapeutic Use CHEK1, CHEK2, PLK1 CHEK1 1/4885CHEK2 2/4885KCNH2 3837/4885

“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.