SCHEMBL617808

SCHEMBL617808

N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(-c3ccc(F)cc3)cn2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 1.00
KCNH2 Q12809 7/20 0.83
NUAK1 O60285 1/20 0.70
CHEK2 O96017 1/20 0.70
CDK1 P06493 1/20 0.70
CCNB1 P14635 1/20 0.70
FLT1 P17948 1/20 0.70
MARK3 P27448 1/20 0.70
KDR P35968 1/20 0.70
FLT3 P36888 1/20 0.70
CLK2 P49760 1/20 0.70
RPS6KA3 P51812 1/20 0.70
PRKAG1 P54619 1/20 0.70
PRKAA1 Q13131 1/20 0.70
PRKD1 Q15139 1/20 0.70
RPS6KA1 Q15418 1/20 0.70
PHKG1 Q16816 1/20 0.70
MAPK15 Q8TD08 1/20 0.70
BRSK1 Q8TDC3 1/20 0.70
PRKAB1 Q9Y478 1/20 0.70

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
SCHEMBL617809 1.00 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2CDK1
SCHEMBL30644886 1.00 CHEK1 (1.00) CHEK1KCNH2NUAK1CHEK2CDK1
SCHEMBL12123063 0.91 CHEK1 (0.84) CHEK1KCNH2
SCHEMBL30644885 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL618209 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL618210 0.91 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL617670 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2
SCHEMBL10172570 0.90 CHEK1 (0.84) CHEK1KCNH2
SCHEMBL30644881 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2
SCHEMBL620064 0.90 CHEK1 (1.00) CHEK1KCNH2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787792-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11787792-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-20210276990-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-09-09 US disclosed
US-10259806-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-04-16 US disclosed
US-20180022739-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-20180022739-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-01-25 US disclosed
US-9663503-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2-pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-05-30 US disclosed
US-9663503-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2-pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-05-30 US disclosed
EP-2855448-B1 5-[[4-[[MORPHOLIN-2-YL]METHYLAMINO]-5-(TRIFLUOROMETHYL)-2-PYRIDYL]AMINO]PYRAZINE-2-CARBONITRILE AND THERAPEUTIC USES THEREOF CANCER RES TECH LTD (GB) 2017-02-08 EP disclosed
EP-2197874-B1 PYRAZIN-2-YL-PYRIDIN-2-YL-AMINE AND PYRAZIN-2-YL-PYRIMIDIN-4-YL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2016-08-31 EP 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
EP-2197874-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) 2010-06-23 EP 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
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 (6 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-20180022739-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CHEK1, CHEK2, BUB1B CHEK1 1/4885KCNH2 4073/4885NUAK1 1026/4885
US-20210276990-A1 5-[[4-[[Morpholin-2-yl]Methylamino]-5-(Trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-Carbonitrile and Therapeutic Uses Thereof CHEK1, CHEK2, BUB1B CHEK1 1/4885KCNH2 4073/4885NUAK1 1026/4885
US-11787792-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 Pyridyl]Amino]Pyrazine-2-carbonitrile and therapeutic uses thereof CHEK1, CHEK2, BUB1B CHEK1 1/4885KCNH2 4073/4885NUAK1 1026/4885
US-10259806-B2 5-[[4-[[morpholin-2-yl]methylamino]-5-(trifluoromethyl)-2 pyridyl]amino]pyrazine-2-carbonitrile and therapeutic uses thereof CHEK1, CHEK2, CDK1 CHEK1 1/4885KCNH2 4384/4885NUAK1 993/4885
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 1/4885KCNH2 2862/4885NUAK1 484/4885
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 1/4885KCNH2 1449/4885NUAK1 558/4885

“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.