SCHEMBL617530

SCHEMBL617530

O=C(O)N1CCC(COc2cc(Br)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 3/20 0.37
FAAH O00519 2/20 0.36
ACHE P22303 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
THRB P10828 2/20 0.36
F2 P00734 1/20 0.35
BCHE P06276 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 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
SCHEMBL617529 1.00 GAA (0.41) GAAALDH1A1KMT2AHTTFAAH
SCHEMBL620378 0.86 GPR119 (0.43) FAAH
SCHEMBL4277889 0.80 GAA (0.39) GAAALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL617858 0.79 PRKCQ (0.38) GAAALDH1A1KMT2AHTTFAAH
SCHEMBL617859 0.79 PRKCQ (0.38) GAAALDH1A1KMT2AHTTFAAH
SCHEMBL620345 0.78 CHEK1 (0.47)
SCHEMBL620346 0.78 CHEK1 (0.47)
SCHEMBL4055411 0.76 LIPE (0.41) ACHETHRBHRH3
SCHEMBL16758032 0.72 CHRNB2 (0.51)
SCHEMBL620714 0.72 GAA (0.49) GAAALDH1A1KMT2AHTTFAAH

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 GAA 1694/4885ALDH1A1 2270/4885KMT2A 497/4885
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 GAA 2118/4885ALDH1A1 2596/4885KMT2A 841/4885

“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.