SCHEMBL620223

SCHEMBL620223

COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NC[C@H]2CN(C(=O)OC(C)(C)CC(C)(C)C)CCO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.61
KCNH2 Q12809 5/20 0.47
CHEK2 O96017 1/20 0.46

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
SCHEMBL620222 1.00 CHEK1 (0.61) CHEK1KCNH2CHEK2
SCHEMBL620421 0.93 CHEK1 (0.64) CHEK1KCNH2CHEK2
SCHEMBL620422 0.93 CHEK1 (0.64) CHEK1KCNH2CHEK2
SCHEMBL3630753 0.93 CHEK1 (0.64) CHEK1KCNH2CHEK2
SCHEMBL620328 0.88 CHEK1 (0.68) CHEK1KCNH2CHEK2
SCHEMBL618265 0.80 CHEK1 (0.56) CHEK1CHEK2
SCHEMBL30186230 0.78 CHEK1 (0.60) CHEK1KCNH2CHEK2
SCHEMBL15391848 0.78 CHEK1 (0.60) CHEK1KCNH2CHEK2
SCHEMBL15391847 0.78 CHEK1 (0.60) CHEK1KCNH2CHEK2
SCHEMBL15392255 0.78 CHEK1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885KCNH2 2862/4885CHEK2 2/4885

“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.