SCHEMBL16615922

SCHEMBL16615922

Cc1ncc(CNC(=O)c2cnc(CNC(=O)c3cccc(C#N)c3)c(C)n2)s1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 3/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2B Q13224 1/20 0.54
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
GRM5 P41594 2/20 0.41
PDE10A Q9Y233 3/20 0.40
KLKB1 P03952 3/20 0.40
ALDH1A1 P00352 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
GAA P10253 1/20 0.38
ROCK2 O75116 1/20 0.38
MCHR1 Q99705 1/20 0.38
GPR139 Q6DWJ6 1/20 0.38
VNN1 O95497 1/20 0.38

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 0.86 GRIN2A (0.51) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16615837 0.83 VNN1 (0.48) GRIN2AGRIN1GRM5ALDH1A1GAA
SCHEMBL16713071 0.82 GRIN2A (0.47) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16615818 0.80 GRIN2A (0.62) GRIN2AGRIN1GRIN2BGRM5ALDH1A1
SCHEMBL16598065 0.77 GRIN2A (0.51) GRIN2AGRIN1GRIN2BPDE10AALDH1A1
SCHEMBL16598064 0.77 GRIN2A (0.54) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16615880 0.76 GRIN2A (0.59) GRIN2AGRIN1GRIN2BPDE10AALDH1A1
SCHEMBL16615821 0.74 GRIN2A (0.65) GRIN2AGRIN1GRIN2BALDH1A1GAA
SCHEMBL16615958 0.73 GRIN2A (0.77) GRIN2AGRIN1GRIN2BALDH1A1
SCHEMBL16598156 0.73 GRIN2A (0.47) GRIN2AGRIN1GRIN2BADORA2AADORA1

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 GRIN2A 1/4885GRIN1 5/4885GRIN2B 2/4885
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 GRIN2A 1/4885GRIN1 5/4885GRIN2B 2/4885

“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.