SCHEMBL4013746

SCHEMBL4013746

c1ccc2c(c1)cnn2-c1nccc(NC2CCCCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
MAPK8 P45983 3/20 0.50
MAPK9 P45984 2/20 0.50
MAPK10 P53779 2/20 0.50
CTSK P43235 2/20 0.46
PDE10A Q9Y233 2/20 0.45
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDC7 O00311 2/20 0.41
CDK4 P11802 1/20 0.41
GSK3B P49841 1/20 0.41
WEE1 P30291 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 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
SCHEMBL4176633 0.81 KCNN2 (0.60) MAPK8MAPK9MAPK10PDE10ACDC7
SCHEMBL14193418 0.78 MAPK8 (0.79) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL27253441 0.78 MAPK10 (0.46) MAPK8MAPK9MAPK10PDE10ACDK4
SCHEMBL14768385 0.74 MAPK8 (0.62) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL4017740 0.74 CCR4 (0.57) PDE10AKDM4EALDH1A1NPC1RAB9A
SCHEMBL16796145 0.72 MKNK1 (0.51) MKNK1MKNK2MAPK8MAPK9MAPK10
SCHEMBL4223118 0.72 KCNN2 (0.71) CTSKCDC7WEE1KDM4EALDH1A1
SCHEMBL4013492 0.69 MKNK1 (0.62) MKNK1MKNK2CDK2CDK4GSK3B
SCHEMBL18803580 0.69 MKNK2 (1.00) MKNK1MKNK2
SCHEMBL3810192 0.67 MAPK8 (0.70) MAPK8MAPK9MAPK10CCNE1CDK2

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 8 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 claimed
US-20090325989-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-12-31 US claimed
EP-2074113-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NeuroSearch A/S (DK) 2009-07-01 EP claimed
WO-2008040753-A1 INDAZOLYL DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-04-10 WO claimed
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
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

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 MKNK1 1058/4885MKNK2 682/4885MAPK8 3260/4885

“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.