SCHEMBL3428496

SCHEMBL3428496

O=C(NCc1ccc2cc[nH]c2c1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.52
ITK Q08881 2/20 0.49
METTL3 Q86U44 3/20 0.48
METTL14 Q9HCE5 3/20 0.48
NAMPT P43490 4/20 0.48
ESR1 P03372 1/20 0.46
MAPK8 P45983 1/20 0.46
NLRP3 Q96P20 1/20 0.45
EPHX2 P34913 4/20 0.45
PPARG P37231 2/20 0.44
RORC P51449 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3427843 0.91 CHRNA7 (0.59) CHRNA7ITKMETTL3METTL14NAMPT
SCHEMBL3427976 0.84 METTL3 (0.47) CHRNA7METTL3METTL14NAMPTESR1
SCHEMBL3403917 0.84 EPHX2 (0.50) CHRNA7METTL3METTL14NAMPTESR1
SCHEMBL4306621 0.82 CHRNA7 (0.50) CHRNA7ITKMETTL3METTL14NAMPT
SCHEMBL7987320 0.82 ITK (0.49) CHRNA7ITKNAMPTEPHX2CYP3A4
SCHEMBL3400881 0.80 HPGDS (0.51) CHRNA7METTL3METTL14NAMPTNLRP3
SCHEMBL4300349 0.80 CHRNA7 (0.51) CHRNA7METTL3METTL14ESR1NLRP3
SCHEMBL3403359 0.80 HPGDS (0.65) ITKMETTL3METTL14NAMPTNLRP3
SCHEMBL3402043 0.80 METTL3 (0.48) CHRNA7METTL3METTL14NAMPTNLRP3
SCHEMBL3400924 0.79 EPHX2 (0.48) CHRNA7METTL3METTL14NAMPTNLRP3

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
CN-101990537-A Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LAB 2011-03-23 CN claimed
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
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 CHRNA7 8/4885ITK 3925/4885METTL3 1575/4885

“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.