SCHEMBL16713071

SCHEMBL16713071

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 4/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2B Q13224 1/20 0.47
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
KLKB1 P03952 3/20 0.33
NAMPT P43490 1/20 0.33
SCN9A Q15858 1/20 0.33
CLK1 P49759 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
GFER P55789 1/20 0.32
GRIA2 P42262 1/20 0.32
CNR2 P34972 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA5 P22460 1/20 0.32

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
SCHEMBL16713097 0.87 GRIN2A (0.44) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16713106 0.85 GRIN1 (0.38) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16615922 0.82 GRIN2A (0.54) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16713115 0.82 GRIN2A (0.54) GRIN2AGRIN1GRIN2B
SCHEMBL16713081 0.79 GRIN2A (0.47) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16713112 0.77 GRIN2A (0.57) GRIN2AGRIN1GRIN2B
SCHEMBL16598065 0.74 GRIN2A (0.51) GRIN2AGRIN1GRIN2BSCN2ASCN10A
SCHEMBL16713092 0.74 GRIN2A (0.52) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16713100 0.74 GRIN2A (0.50) GRIN2AGRIN1GRIN2BADORA2AADORA1
SCHEMBL16713125 0.72 GRIN2A (0.42) GRIN2AGRIN1GRIN2B

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 3 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-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

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.