SCHEMBL620448

SCHEMBL620448

CN(c1cc(Nc2cnc(C#N)cn2)ncn1)C1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 18/20 0.52
CHEK2 O96017 3/20 0.52
LCK P06239 1/20 0.45
JAK3 P52333 1/20 0.44
KCNH2 Q12809 3/20 0.43
NUAK1 O60285 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
FLT1 P17948 1/20 0.42
MARK3 P27448 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CLK2 P49760 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKD1 Q15139 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
PHKG1 Q16816 1/20 0.42
MAPK15 Q8TD08 1/20 0.42

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
SCHEMBL618243 0.88 CHEK1 (0.61) CHEK1CHEK2LCKJAK3
SCHEMBL618266 0.82 CHEK1 (0.52) CHEK1CHEK2LCKJAK3KCNH2
SCHEMBL619577 0.81 CHEK1 (0.61) CHEK1CHEK2LCKJAK3
SCHEMBL619906 0.80 CHEK1 (0.59) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL619905 0.80 CHEK1 (0.59) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL618176 0.80 CHEK1 (0.46) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL617284 0.79 CHEK1 (0.45) CHEK1CHEK2KCNH2NUAK1CDK1
SCHEMBL620970 0.78 CHEK1 (0.53) CHEK1CHEK2LCKJAK3KCNH2
SCHEMBL620360 0.77 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL619749 0.76 CHEK1 (0.51) CHEK1CHEK2KCNH2NUAK1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-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 2/4885LCK 628/4885
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 2/4885LCK 806/4885

“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.