SCHEMBL2885850

SCHEMBL2885850

Clc1ccc(Nc2cncc(-c3ccccn3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.49
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
KDR P35968 4/20 0.46
SLC2A1 P11166 1/20 0.46
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
CCR8 P51685 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
GPR39 O43194 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
AGPAT2 O15120 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40

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
SCHEMBL2889322 0.85 KCNH2 (0.49) CDK2KCNH2SCN5ASCN9AKDR
SCHEMBL2886268 0.85 SCN9A (0.49) CDK2KCNH2SCN5ASCN9AKDR
SCHEMBL3143142 0.84 SLC2A1 (0.61) CDK2KDRSLC2A1CCR1CCR5
SCHEMBL3128890 0.80 MECP2 (0.53) KDRSLC2A1CCR1CCR5CCR8
SCHEMBL3133015 0.80 KDM4E (0.47) CDK2KDRSLC2A1CCR1CCR5
SCHEMBL2885535 0.79 KCNH2 (0.46) CDK2KCNH2SCN5ASCN9AKDR
SCHEMBL3142709 0.78 KDR (0.44) KDRSLC2A1CCR1CCR5CCR8
SCHEMBL3142441 0.77 KDM4E (0.42) CDK2SLC2A1CCR1CCR5CCR8
SCHEMBL13028188 0.76 KDR (0.48) CDK2KCNH2SCN5ASCN9AKDR
SCHEMBL2892050 0.76 CNR1 (0.47) CDK2KCNH2SCN5ASCN9AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDK2 2402/4885KCNH2 8/4885SCN5A 50/4885

“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.