SCHEMBL3401917

SCHEMBL3401917

O=C(Cc1ccc2cc[nH]c2c1)Nc1ccc(-c2ccccc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.56
NLRP3 Q96P20 2/20 0.54
CACNA1H O95180 3/20 0.51
CACNA1G O43497 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
GLS O94925 1/20 0.43
FAAH O00519 1/20 0.43
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
KMT2A Q03164 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3400958 0.91 WNT3A (0.56) WNT3ANLRP3CACNA1HCACNA1GCACNA1I
SCHEMBL1752799 0.84 WNT3A (0.61) WNT3ANLRP3CCNA2CDK2CCNA1
SCHEMBL3425278 0.83 WNT3A (0.59) WNT3ANLRP3CACNA1HCACNA1GCACNA1I
SCHEMBL3400928 0.82 WNT3A (0.60) WNT3ANLRP3
SCHEMBL3423405 0.80 NLRP3 (0.53) NLRP3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL4298458 0.79 NLRP3 (0.67) WNT3ANLRP3CACNA1HCACNA1GCACNA1I
SCHEMBL3398051 0.77 NLRP3 (0.50) NLRP3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL3427420 0.77 NLRP3 (0.50) NLRP3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL3426814 0.77 CACNA1H (0.50) NLRP3CACNA1HCACNA1GCACNA1IGLS
SCHEMBL3424868 0.77 NLRP3 (0.49) NLRP3CACNA1HCACNA1GCACNA1IGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US 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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN 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 WNT3A 4288/4885NLRP3 1117/4885CACNA1H 409/4885

“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.