SCHEMBL4013569

SCHEMBL4013569

O=[N+]([O-])c1cnc(-n2cc3ccccc3n2)nc1Nc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
GSK3B P49841 4/20 0.47
GSK3A P49840 3/20 0.43
AURKA O14965 3/20 0.43
STK17A Q9UEE5 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
BCL6 P41182 1/20 0.40
HTR2A P28223 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL4416090 0.81 BCL6 (0.41) AURKAMAPTPOLBMEN1KMT2A
SCHEMBL29974061 0.74 PIN1 (0.79) PIN1GSK3BGSK3AAURKASTK17A
SCHEMBL28877888 0.74 PIN1 (0.79) PIN1GSK3BGSK3AAURKASTK17A
SCHEMBL14050119 0.72 PIN1 (0.59) PIN1GSK3BGSK3AAURKASTK17A
SCHEMBL3976795 0.69 PIN1 (1.00) PIN1GSK3BGSK3AAURKAMAPT
SCHEMBL29695566 0.69 MAPT (0.56) PIN1GSK3BGSK3AAURKASTK17A
SCHEMBL4013574 0.68 MEN1 (0.48) PIN1GSK3BGSK3AAURKAMAPT
SCHEMBL4014022 0.68 ROCK1 (0.46) PIN1GSK3BGSK3AAURKAMAPT
SCHEMBL30173119 0.68 PIN1 (0.53) PIN1GSK3BGSK3AAURKASTK17A
SCHEMBL4012848 0.67 NPC1 (0.50) MAPTPOLBMEN1CYP1A2CYP3A4

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-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-8222262-B2 Indazolyl derivatives useful as potassium channel modulating agents NEUROSEARCH A/S (DK) 2012-07-17 US 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
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US disclosed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP disclosed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 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 (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-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCND2, KCNN3, KCNJ2 PIN1 1926/4885GSK3B 1352/4885GSK3A 1413/4885

“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.