SCHEMBL10172309

SCHEMBL10172309

[C-]#[N+]c1cnc(Nc2cc(NC[C@@H]3CCCNC3)c(N)cn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.49
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
CCNT1 O60563 3/20 0.37
CHEK2 O96017 2/20 0.37
KCNH2 Q12809 3/20 0.36
SYK P43405 2/20 0.36
AURKB Q96GD4 2/20 0.36

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
SCHEMBL10172288 1.00 CHEK1 (0.49) CHEK1ROCK2ROCK1CDC42BPBBRD4
SCHEMBL10172314 1.00 CHEK1 (0.49) CHEK1ROCK2ROCK1CDC42BPBBRD4
SCHEMBL13893655 0.87 CHEK1 (0.52) CHEK1ROCK2ROCK1CDC42BPBBRD4
SCHEMBL10172311 0.87 KDM4E (0.38) CHEK1CHEK2
SCHEMBL10172341 0.85 CHEK1 (0.46) CHEK1ROCK2ROCK1CDC42BPBBRD4
SCHEMBL10172332 0.85 CHEK1 (0.46) CHEK1ROCK2ROCK1CDC42BPBBRD4
SCHEMBL620877 0.83 CHEK1 (0.70) CHEK1CHEK2KCNH2
SCHEMBL12122935 0.83 CHEK1 (0.57) CHEK1CHEK2KCNH2
SCHEMBL12122925 0.83 CHEK1 (0.57) CHEK1CHEK2KCNH2
SCHEMBL12122933 0.83 CHEK1 (0.57) CHEK1CHEK2KCNH2

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 4 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

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 1/4885ROCK2 651/4885ROCK1 961/4885
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 1/4885ROCK2 631/4885ROCK1 879/4885

“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.