SCHEMBL16615837

SCHEMBL16615837

Cc1ncc(CNC(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cn2)s1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 10/20 0.48
GAA P10253 1/20 0.43
ROCK2 O75116 4/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM3 P20309 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
ROCK1 Q13464 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
SCHEMBL16615938 0.88 GRIN2A (0.51) VNN1GAAROCK2GRM5ALDH1A1
SCHEMBL16615798 0.85 HPGD (0.47) GAAROCK2ALDH1A1GRIN1GRIN2A
SCHEMBL16615922 0.83 GRIN2A (0.54) VNN1GAAROCK2GRM5ALDH1A1
SCHEMBL16713106 0.82 GRIN1 (0.38) VNN1GRM5GRIN1GRIN2A
SCHEMBL16615844 0.81 EPHX2 (0.51) ROCK2GRIN1GRIN2A
SCHEMBL16615929 0.80 GRIN2A (0.49) GAAGRIN1GRIN2A
SCHEMBL16615793 0.77 GRIN2A (0.45) ALDH1A1GRIN1GRIN2A
SCHEMBL16615790 0.76 VNN1 (0.45) VNN1GAAROCK2GRM5ALDH1A1
SCHEMBL16615937 0.75 GRIN2A (0.61) GRM5ALDH1A1GRIN1GRIN2A
SCHEMBL16615794 0.75 GRIN2A (0.49) GAAALDH1A1GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 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 (2 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-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 VNN1 2651/4885GAA 3027/4885ROCK2 4264/4885
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 VNN1 2651/4885GAA 3027/4885ROCK2 4264/4885

“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.