SCHEMBL619225

SCHEMBL619225

O=C(O)N1CCCC(CNc2cc(Br)ncc2[N+](=O)[O-])C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
MAPT P10636 6/20 0.35
ALDH1A1 P00352 7/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKCQ Q04759 3/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
SCN9A Q15858 1/20 0.34
HCAR3 P49019 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
SYK P43405 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL619226 1.00 KDM4E (0.38) KDM4EASPHRIOX2KDM8MAPT
SCHEMBL617858 0.88 PRKCQ (0.38) KDM4EASPHRIOX2KDM8MAPT
SCHEMBL617859 0.88 PRKCQ (0.38) KDM4EASPHRIOX2KDM8MAPT
SCHEMBL619827 0.86 IDO1 (0.51) IDO1TDO2SCN9ACYP2C9
SCHEMBL2729081 0.82 HCAR3 (0.41) MAPTALDH1A1LMNAMAPK1HCAR3
SCHEMBL10218139 0.81 KDM4E (0.46) KDM4EASPHRIOX2KDM8MAPT
SCHEMBL618424 0.80 CHEK1 (0.50)
SCHEMBL618425 0.80 CHEK1 (0.50)
SCHEMBL3995252 0.79 MAPK1 (0.43) KDM4EMAPTALDH1A1LMNAMAPK1
SCHEMBL3993362 0.79 MAPK1 (0.43) KDM4EMAPTALDH1A1LMNAMAPK1

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 KDM4E 1193/4885ASPH 4392/4885RIOX2 2856/4885
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 KDM4E 1296/4885ASPH 4788/4885RIOX2 2641/4885

“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.