SCHEMBL620993

SCHEMBL620993

CC(C)(C)OC(=O)N1CCCC(CNc2cc(Nc3cnc(C#N)cn3)ncc2-n2ccc(C=O)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.45
CHEK2 O96017 3/20 0.42
IRAK1 P51617 1/20 0.42
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ACKR3 P25106 1/20 0.37
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL620342 0.90 CHEK1 (0.46) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL617942 0.90 CHEK1 (0.45) CHEK1CHEK2
SCHEMBL10172351 0.88 IRAK1 (0.41) IRAK1IDO1TDO2ACKR3BCHE
SCHEMBL13893610 0.88 CHEK1 (0.45) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL619985 0.86 CHEK1 (0.44) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL13893611 0.84 CHEK1 (0.46) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL618259 0.83 CHEK1 (0.40) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL617376 0.83 CHEK1 (0.52) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL13893670 0.82 CHEK1 (0.47) CHEK1CHEK2IRAK1IDO1TDO2
SCHEMBL618222 0.80 CHEK1 (0.49) CHEK1CHEK2IRAK1IDO1TDO2

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 9 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
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
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 2/4885IRAK1 1145/4885
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 2/4885IRAK1 1477/4885

“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.