SCHEMBL2892964

SCHEMBL2892964

Clc1ccc(Nc2cncc(-c3nccs3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.60
CYP1A2 P05177 8/20 0.60
CYP1B1 Q16678 8/20 0.60
SYK P43405 5/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
KDR P35968 2/20 0.45
ESR1 P03372 1/20 0.41
CDK2 P24941 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2886268 0.77 SCN9A (0.49) KCNH2SCN5ASCN9AKDRCDK2
SCHEMBL2889322 0.77 KCNH2 (0.49) KCNH2SCN5ASCN9AKDRCDK2
SCHEMBL2885850 0.75 CDK2 (0.49) CYP1A2KCNH2SCN5ASCN9AKDR
SCHEMBL13924481 0.75 SYK (0.77) CYP1A1CYP1A2CYP1B1SYKCDK2
SCHEMBL28712388 0.75 CYP1A1 (1.00) CYP1A1CYP1A2CYP1B1ESR1MEN1
SCHEMBL3130986 0.72 PDPK1 (0.44) CYP1A1CYP1A2CYP1B1SYKKDR
SCHEMBL13028188 0.71 KDR (0.48) CYP1A2KCNH2SCN5ASCN9AKDR
SCHEMBL2885798 0.71 CDK2 (0.73) CYP1A2KCNH2SCN5ASCN9AKDR
SCHEMBL3651665 0.70 CYP1A2 (0.42) CYP1A1CYP1A2CYP1B1SYKMEN1
SCHEMBL2891388 0.69 SCN9A (0.50) CYP1A2KCNH2SCN5ASCN9AKDR

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 9 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-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 CYP1A1 1961/4885CYP1A2 1246/4885CYP1B1 2087/4885

“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.