SCHEMBL3425866

SCHEMBL3425866

O=C(NCc1ccc2cc[nH]c2c1)c1ccc(-c2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 3/20 0.58
METTL14 Q9HCE5 3/20 0.58
NLRP3 Q96P20 1/20 0.47
PDE2A O00408 3/20 0.43
KLKB1 P03952 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
AXL P30530 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
MAPK9 P45984 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
SCHEMBL3404746 0.91 GSK3B (0.50) METTL3METTL14PDE2AKLKB1JAK2
SCHEMBL3424294 0.83 METTL3 (0.56) METTL3METTL14NLRP3PDE2AJAK2
SCHEMBL3403359 0.82 HPGDS (0.65) METTL3METTL14NLRP3JAK2MAP4K4
SCHEMBL4305559 0.80 METTL3 (0.55) METTL3METTL14NLRP3DRD5F2
SCHEMBL3427153 0.79 NR1H4 (0.59) METTL3METTL14NLRP3JAK2MAP4K4
SCHEMBL3399660 0.77 METTL3 (0.52) METTL3METTL14NLRP3KLKB1JAK2
SCHEMBL3401988 0.77 METTL3 (0.52) METTL3METTL14NLRP3KLKB1ROCK1
SCHEMBL3430690 0.77 METTL3 (0.54) METTL3METTL14NLRP3KLKB1F2
SCHEMBL3429288 0.77 METTL3 (0.52) METTL3METTL14NLRP3PDE2AKLKB1
SCHEMBL3401917 0.76 WNT3A (0.56) NLRP3CDK1MEN1KMT2AFAAH

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 METTL3 1575/4885METTL14 2439/4885NLRP3 1117/4885

“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.