SCHEMBL620447

SCHEMBL620447

COc1ccc(-c2cnc(Cl)cc2NCC2CN(C(=O)OC(C)(C)C)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.45
ERBB2 P04626 1/20 0.45
EPHB4 P54760 1/20 0.45
CHEK1 O14757 2/20 0.42
SRC P12931 1/20 0.41
HTT P42858 1/20 0.41
RET P07949 2/20 0.40
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
PIK3CA P42336 2/20 0.39
PRKDC P78527 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MMP13 P45452 1/20 0.38
MAPT P10636 1/20 0.38
LRRK2 Q5S007 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL620446 1.00 EPHA2 (0.45) EPHA2ERBB2EPHB4CHEK1SRC
SCHEMBL621193 1.00 EPHA2 (0.45) EPHA2ERBB2EPHB4CHEK1SRC
SCHEMBL620442 0.89 CHEK1 (0.44) EPHA2CHEK1LRRK2
SCHEMBL16692114 0.84 EPHA2 (0.45) EPHA2ERBB2EPHB4RETLRRK2
SCHEMBL16692104 0.84 EPHA2 (0.45) EPHA2ERBB2EPHB4RETLRRK2
SCHEMBL620422 0.84 CHEK1 (0.64) CHEK1
SCHEMBL620421 0.84 CHEK1 (0.64) CHEK1
SCHEMBL3630753 0.84 CHEK1 (0.64) CHEK1
SCHEMBL619934 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4RETLRRK2
SCHEMBL620135 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4RETLRRK2

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.