SCHEMBL3429288

SCHEMBL3429288

CC(C)Oc1ccc(C(=O)NCc2ccc3cc[nH]c3c2)nn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 4/20 0.52
METTL14 Q9HCE5 4/20 0.52
NLRP3 Q96P20 2/20 0.46
ABL1 P00519 1/20 0.41
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
DRD5 P21918 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOD2 Q9HC29 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
ACACB O00763 1/20 0.38
KLKB1 P03952 2/20 0.37
CHRNA7 P36544 1/20 0.37
KLK1 P06870 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3428151 0.92 CACNA1G (0.48) METTL3METTL14ABL1CACNA1GCACNA1H
SCHEMBL4305559 0.89 METTL3 (0.55) METTL3METTL14NLRP3ABL1CACNA1G
SCHEMBL3399660 0.86 METTL3 (0.52) METTL3METTL14NLRP3ABL1CACNA1G
SCHEMBL3401988 0.85 METTL3 (0.52) METTL3METTL14NLRP3ABL1CACNA1G
SCHEMBL3428978 0.82 METTL3 (0.48) METTL3METTL14NLRP3ABL1MAPK8
SCHEMBL4297202 0.82 KLKB1 (0.48) METTL3METTL14NLRP3ABL1KLKB1
SCHEMBL3428758 0.81 CACNA1G (0.51) METTL3METTL14ABL1CACNA1GCACNA1H
SCHEMBL4299945 0.78 CACNA1G (0.47) METTL3METTL14ABL1CACNA1GCACNA1H
SCHEMBL3401577 0.78 NR1H4 (0.59) METTL3METTL14NLRP3POLBSMN1; SMN2
SCHEMBL3403269 0.78 CACNA1G (0.48) METTL3METTL14ABL1CACNA1GCACNA1H

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-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
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.