SCHEMBL2885911

SCHEMBL2885911

Clc1ccc(Nc2cncc(-n3cccn3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
BUB1 O43683 1/20 0.47
NOTUM Q6P988 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
CDK2 P24941 2/20 0.43
AOC3 Q16853 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPK10 P53779 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDR P35968 2/20 0.38
CSNK2A2 P19784 1/20 0.38
FGFR2 P21802 1/20 0.38
CSNK1A1 P48729 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
SCHEMBL3577903 0.83 NOTUM (0.49) KDM4EALDH1A1NOTUMKCNH2SCN9A
SCHEMBL2889312 0.75 CDK2 (0.43) KDM4EALDH1A1KCNH2SCN5ASCN9A
SCHEMBL2891366 0.74 CDK2 (0.44) KDM4EKCNH2SCN5ASCN9ACDK2
SCHEMBL12532330 0.74 KDM4E (1.00) KDM4EALDH1A1NOTUMMEN1LMNA
SCHEMBL6664965 0.73 KDM4E (0.75) KDM4EALDH1A1NOTUMCDK2AOC3
SCHEMBL2885798 0.71 CDK2 (0.73) KCNH2SCN5ASCN9ACDK2KDR
SCHEMBL3582326 0.70 MEN1 (0.52) KDM4EALDH1A1SCN9AMEN1LMNA
SCHEMBL2886379 0.69 BCL6 (0.54) KCNH2SCN5ASCN9ALMNAMAPK10
SCHEMBL4900680 0.69 NOTUM (0.42) KDM4EALDH1A1NOTUMAOC3MEN1
SCHEMBL2889322 0.69 KCNH2 (0.49) KCNH2SCN5ASCN9ACDK2MEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 US claimed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 US claimed
EP-2203436-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-07 EP claimed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 WO claimed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 US disclosed
EP-2203436-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-07 EP disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 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 (1 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNQ5, KCNA5 KDM4E 960/4885ALDH1A1 2927/4885BUB1 970/4885

“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.