SCHEMBL2885798

SCHEMBL2885798

Clc1ccc(Nc2cncc(Cl)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.73
SCN9A Q15858 5/20 0.58
SCN5A Q14524 3/20 0.58
KCNH2 Q12809 3/20 0.58
MAPT P10636 1/20 0.52
IDO1 P14902 1/20 0.49
EGFR P00533 1/20 0.47
ERBB3 P21860 1/20 0.47
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
GRM4 Q14833 1/20 0.43
KDR P35968 1/20 0.43
BRAF P15056 3/20 0.41
AGPAT2 O15120 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
SCHEMBL6661698 0.85 CDK2 (0.69) CDK2SCN9ASCN5AKCNH2MAPT
SCHEMBL6302354 0.85 CDK2 (0.69) CDK2SCN9ASCN5AKCNH2MAPT
SCHEMBL1678613 0.85 CDK2 (1.00) CDK2SCN9ASCN5AKCNH2MAPT
SCHEMBL1122444 0.82 CDK2 (0.65) CDK2SCN9ASCN5AKCNH2MAPT
SCHEMBL16739547 0.81 CDK2 (0.63) CDK2SCN9ASCN5AKCNH2BRAF
SCHEMBL2932811 0.80 CDK2 (0.66) CDK2MAPTEGFRNPC1RAB9A
SCHEMBL1121971 0.79 CDK2 (0.70) CDK2EGFRERBB3KDRBRAF
SCHEMBL6656588 0.79 BRAF (0.62) CDK2MAPTBRAF
SCHEMBL6659290 0.79 CDK2 (1.00) CDK2EGFRKDR
SCHEMBL6658632 0.78 CDK2 (0.54) CDK2MAPTNPC1RAB9AGRM4

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 13 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 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-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US disclosed
US-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 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
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US disclosed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 WO disclosed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNQ5, KCNA5 CDK2 2402/4885SCN9A 132/4885SCN5A 50/4885
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCND2, KCNN3, KCNJ2 CDK2 1281/4885SCN9A 202/4885SCN5A 153/4885

“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.