SCHEMBL3582329

SCHEMBL3582329

Clc1ccc(Nc2cccc(-n3cccn3)n2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.43
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.41
PIK3CA P42336 3/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTOR P42345 1/20 0.36
JAK3 P52333 1/20 0.36
NTRK2 Q16620 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
SCHEMBL3575849 0.83 ALDH1A1 (0.46) NPC1ALDH1A1RAB9AKDM4EMAPK1
SCHEMBL3577903 0.81 NOTUM (0.49) ALDH1A1RAB9ANOTUMPIK3CAMEN1
SCHEMBL4900680 0.78 NOTUM (0.42) NPC1ALDH1A1RAB9ANOTUMMEN1
SCHEMBL963505 0.74 GAA (0.51) NPC1ALDH1A1RAB9APIK3CAPIK3CB
SCHEMBL18560509 0.73 TYK2 (0.36) NPC1ALDH1A1RAB9AHTR1A
SCHEMBL15091147 0.73 LMNA (0.38) NPC1ALDH1A1RAB9ALMNAHTR1A
SCHEMBL15091214 0.72 SYK (0.45)
SCHEMBL3582326 0.71 MEN1 (0.52) TNIKNPC1ALDH1A1RAB9AMEN1
SCHEMBL199306 0.70 ALDH1A1 (0.65) NPC1ALDH1A1RAB9ANOTUMMEN1
SCHEMBL31517328 0.69 ALDH1A1 (0.50) NPC1ALDH1A1NOTUMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US claimed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP claimed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 WO claimed
US-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S 2010-02-11 US disclosed
EP-2114916-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2009-11-11 EP disclosed
WO-2008092942-A2 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-08-07 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-20100035934-A1 PYRIDINYL-PYRAZOLE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNA3, KCNQ1 TNIK 732/4885NPC1 960/4885ALDH1A1 3006/4885

“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.