SCHEMBL5654405

SCHEMBL5654405

NC(=O)[CH]c1cccc(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 13/20 0.56
MKNK2 Q9HBH9 13/20 0.56
KMO O15229 1/20 0.55
MEN1 O00255 1/20 0.53
PSIP1 O75475 1/20 0.53
AXL P30530 1/20 0.53
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2A6 P11509 1/20 0.48
ERN1 O75460 1/20 0.48
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
P4HB P07237 1/20 0.45
CNR1 P21554 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL5656090 0.85 CNR1 (0.43) MKNK1MKNK2KMOCYP2A6ERN1
SCHEMBL12675733 0.83 MKNK1 (0.53) MKNK1MKNK2KMOMEN1PSIP1
SCHEMBL3092733 0.81 MAPT (0.58) MKNK1MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL5654037 0.80 PIM2 (0.67) KMOPIM1PIM2P4HBCYP11B2
SCHEMBL29569162 0.80 ERN1 (0.57) MKNK1MKNK2KMOMEN1PSIP1
SCHEMBL958907 0.80 ERN1 (0.57) MKNK1MKNK2KMOMEN1PSIP1
SCHEMBL30584113 0.78 PIM2 (0.68) KMOCYP1A2CYP3A4PIM2P4HB
SCHEMBL28509453 0.78 PIM2 (0.68) KMOCYP1A2CYP3A4PIM2P4HB
SCHEMBL12676020 0.78 PLCG1 (0.58) MEN1ALDH1A1CYP1A2
SCHEMBL5849078 0.77 CYP2A6 (0.45) MKNK1MKNK2CYP2A6ERN1

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-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US claimed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 US disclosed
US-7091202-B2 4-arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-15 US disclosed
US-20060063790-A1 4-Arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2006-03-23 US disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 US 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-20060063790-A1 4-Arylspirocycloalkyl-2-aminopyrimidine carboxamide KCNQ potassium channel modulators KCNQ2, KCNQ1, KCNQ4 MKNK1 1968/4885MKNK2 2157/4885KMO 195/4885
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 MKNK1 3242/4885MKNK2 3000/4885KMO 244/4885

“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.