SCHEMBL16615942

SCHEMBL16615942

Cc1ncc(CNC(=O)c2cnc(CNS(=O)(=O)c3cccs3)cn2)s1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 4/20 0.63
GRIN1 Q05586 2/20 0.63
GRIN2B Q13224 1/20 0.48
RAB9A P51151 1/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2D6 P10635 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
SCHEMBL16615836 0.86 GRIN2A (0.49) GRIN2AGRIN1GRIN2BTP53CYP2C9
SCHEMBL16615900 0.83 GRIN2A (0.61) GRIN2AGRIN1GRIN2BRAB9AKDM4E
SCHEMBL16615940 0.83 GRIN2A (0.68) GRIN2AGRIN1GRIN2BCYP2C9CYP2C19
SCHEMBL16598319 0.82 GRIN2A (0.69) GRIN2AGRIN1GRIN2BTP53ALDH1A1
SCHEMBL16615933 0.82 GRIN2A (0.77) GRIN2AGRIN1GRIN2BTP53KDM4E
SCHEMBL16615832 0.80 GRIN2A (0.78) GRIN2AGRIN1GRIN2BALDH1A1MEN1
SCHEMBL16598350 0.80 GRIN2A (0.77) GRIN2AGRIN1GRIN2BRAB9AMEN1
SCHEMBL16598210 0.80 GRIN2A (0.74) GRIN2AGRIN1GRIN2BCYP2C9ALDH1A1
SCHEMBL16598233 0.79 GRIN2A (0.85) GRIN2AGRIN1GRIN2BRAB9AKDM4E
SCHEMBL16598003 0.79 GRIN2A (0.85) GRIN2AGRIN1GRIN2BCYP2C9CYP2C19

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.