SCHEMBL3404746

SCHEMBL3404746

O=C(NCc1ccc2[nH]ccc2c1)c1ccc(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
KLKB1 P03952 1/20 0.49
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
DRD5 P21918 1/20 0.48
METTL3 Q86U44 1/20 0.48
METTL14 Q9HCE5 1/20 0.48
PDE2A O00408 1/20 0.43
TRPA1 O75762 1/20 0.43
JAK2 O60674 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
PRKCG P05129 1/20 0.43
CDK1 P06493 1/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
ROS1 P08922 1/20 0.43
FER P16591 1/20 0.43
FLT1 P17948 1/20 0.43

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
SCHEMBL3425866 0.91 METTL3 (0.58) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3400005 0.83 HIF1A (0.53) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3427971 0.82 HPGDS (0.65) GSK3BKLKB1DRD5JAK2MAP4K4
SCHEMBL3399409 0.80 CACNA1G (0.49) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3428758 0.80 CACNA1G (0.51) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL4301182 0.79 EPHX2 (0.59) GSK3BKLKB1DRD5MAP4K4PRKCG
SCHEMBL3426192 0.79 CACNA1G (0.52) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3403269 0.77 CACNA1G (0.48) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3428151 0.77 CACNA1G (0.48) GSK3BKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL3399152 0.77 CACNA1G (0.48) GSK3BKLKB1CACNA1GCACNA1HCACNA1I

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
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 GSK3B 2912/4885KLKB1 4076/4885CACNA1G 380/4885

“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.