SCHEMBL10172452

SCHEMBL10172452

Cc1noc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2CCCCC2)n1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.84
CHEK2 O96017 2/20 0.48
KCNH2 Q12809 3/20 0.47

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
SCHEMBL618413 0.91 CHEK1 (1.00) CHEK1CHEK2KCNH2
SCHEMBL620332 0.87 CHEK1 (0.74) CHEK1CHEK2KCNH2
SCHEMBL619445 0.83 CHEK1 (0.68) CHEK1CHEK2
SCHEMBL10172521 0.79 CHEK1 (0.82) CHEK1CHEK2KCNH2
SCHEMBL618154 0.77 CHEK1 (0.57) CHEK1CHEK2KCNH2
SCHEMBL13893664 0.77 CHEK1 (0.76) CHEK1CHEK2KCNH2
SCHEMBL10172449 0.76 CHEK1 (0.66) CHEK1CHEK2
SCHEMBL10218146 0.73 CHEK1 (0.55) CHEK1CHEK2KCNH2
SCHEMBL10172537 0.73 CHEK1 (0.63) CHEK1CHEK2
SCHEMBL10172547 0.72 CHEK1 (0.83) 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2/4885KCNH2 2862/4885

“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.