SCHEMBL617236

SCHEMBL617236

COC(=O)c1cnc(Nc2cnc(C#N)cn2)cc1N(C)C1(C)COC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 20/20 0.55
CHEK2 O96017 7/20 0.55
KCNH2 Q12809 2/20 0.45
AKT1 P31749 1/20 0.42
AURKA O14965 2/20 0.40
FLT4 P35916 2/20 0.40
GSK3B P49841 2/20 0.40
RPS6KA3 P51812 2/20 0.40
KDR P35968 1/20 0.40
GSK3A P49840 1/20 0.40
STK3 Q13188 1/20 0.40
IKBKB O14920 1/20 0.39
DCLK1 O15075 1/20 0.39
RPS6KA5 O75582 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
RET P07949 1/20 0.39
PHKG2 P15735 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL619929 0.87 CHEK1 (0.58) CHEK1CHEK2KCNH2
SCHEMBL619478 0.81 CHEK1 (0.57) CHEK1CHEK2KCNH2
SCHEMBL617235 0.79 CHEK1 (0.65) CHEK1CHEK2KCNH2AKT1
SCHEMBL620295 0.78 CHEK1 (0.69) CHEK1CHEK2KCNH2
SCHEMBL618324 0.77 CHEK1 (0.68) CHEK1CHEK2KCNH2
SCHEMBL619534 0.76 CHEK1 (0.70) CHEK1CHEK2KCNH2
SCHEMBL617231 0.72 CHEK1 (0.53) CHEK1CHEK2KCNH2
SCHEMBL620380 0.72 CHEK1 (0.75) CHEK1CHEK2KCNH2
SCHEMBL619902 0.71 CHEK1 (0.78) CHEK1CHEK2KCNH2
SCHEMBL620217 0.71 CHEK1 (1.00) 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 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 2/4885KCNH2 2862/4885
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 2/4885KCNH2 1449/4885

“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.