SCHEMBL617859

SCHEMBL617859

O=C(O)N1CCC(CNc2cc(Br)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 6/20 0.38
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 1/20 0.38
GRIN2B Q13224 2/20 0.38
PTGER4 P35408 1/20 0.37
HTT P42858 3/20 0.36
FAAH O00519 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
NPBWR1 P48145 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
SCHEMBL617858 1.00 PRKCQ (0.38) PRKCQKDM4EASPHRIOX2KDM8
SCHEMBL619225 0.88 KDM4E (0.38) PRKCQKDM4EASPHRIOX2KDM8
SCHEMBL619226 0.88 KDM4E (0.38) PRKCQKDM4EASPHRIOX2KDM8
SCHEMBL620258 0.85 IDO1 (0.50) KDM4EFAAH
SCHEMBL10218139 0.83 KDM4E (0.46) PRKCQKDM4EASPHRIOX2KDM8
SCHEMBL15740553 0.82 PTGER4 (0.41) PRKCQPTGER4HTTSMN1; SMN2MAPT
SCHEMBL17453717 0.80 MAPK1 (0.51) KDM4EPTGER4HTTSMN1; SMN2LMNA
SCHEMBL17453718 0.80 MAPK1 (0.51) KDM4EPTGER4HTTSMN1; SMN2LMNA
SCHEMBL617530 0.79 GAA (0.41) KDM4EHTTFAAHBCHEACHE
SCHEMBL617529 0.79 GAA (0.41) KDM4EHTTFAAHBCHEACHE

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 PRKCQ 835/4885KDM4E 1193/4885ASPH 4392/4885
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 PRKCQ 543/4885KDM4E 1296/4885ASPH 4788/4885

“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.