SCHEMBL619933

SCHEMBL619933

CC(C)(C)OC(=O)N1CCOC(CNc2cc(Cl)ncc2I)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.44
ERBB2 P04626 1/20 0.44
EPHB4 P54760 1/20 0.44
MALT1 Q9UDY8 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
P2RX3 P56373 3/20 0.38
P2RX2 Q9UBL9 3/20 0.38
CSF1R P07333 1/20 0.37
LRRK2 Q5S007 2/20 0.36
ENPP2 Q13822 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
RET P07949 2/20 0.35
NAMPT P43490 1/20 0.35
BRD4 O60885 1/20 0.35
BUB1 O43683 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL619934 1.00 EPHA2 (0.44) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL620135 1.00 EPHA2 (0.44) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL16692114 0.91 EPHA2 (0.45) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL16692104 0.91 EPHA2 (0.45) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL18896596 0.87 EPHA2 (0.43) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL19807201 0.87 EPHA2 (0.43) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL16693739 0.87 EPHA2 (0.43) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL22943435 0.86 EPHA2 (0.43) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL29578927 0.86 EPHA2 (0.43) EPHA2ERBB2EPHB4MALT1IDO1
SCHEMBL22943252 0.84 EPHA2 (0.44) EPHA2ERBB2EPHB4MALT1IDO1

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 7 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
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 EPHA2 1532/4885ERBB2 545/4885EPHB4 2790/4885
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 EPHA2 1868/4885ERBB2 575/4885EPHB4 2923/4885

“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.