SCHEMBL619979

SCHEMBL619979

CN(C)CC(=O)Nc1cnc(Nc2cnc(C#N)cn2)cc1OCC1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.50
CHEK2 O96017 5/20 0.44
PLK4 O00444 1/20 0.43
PDPK1 O15530 1/20 0.43
MAP4K4 O95819 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
FER P16591 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
STK3 Q13188 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SGK2 Q9HBY8 1/20 0.43

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
SCHEMBL619612 0.90 CHEK1 (0.47) CHEK1CHEK2
SCHEMBL618309 0.88 CHEK1 (0.58) CHEK1CHEK2
SCHEMBL618112 0.82 CHEK1 (0.52) CHEK1CHEK2
SCHEMBL620345 0.80 CHEK1 (0.47) CHEK1CHEK2
SCHEMBL620346 0.80 CHEK1 (0.47) CHEK1CHEK2
SCHEMBL619770 0.79 CHEK1 (0.55) CHEK1CHEK2
SCHEMBL619769 0.77 CHEK1 (0.45) CHEK1CHEK2
SCHEMBL10221934 0.76 CHEK1 (0.43) CHEK1CHEK2
SCHEMBL618256 0.75 CHEK1 (0.71) CHEK1CHEK2
SCHEMBL618255 0.75 CHEK1 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2/4885PLK4 14/4885
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 2/4885PLK4 25/4885

“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.