SCHEMBL16598153

SCHEMBL16598153

Cc1ncc(CNC(=O)c2cnc(CNC(=O)c3cc(Cl)ccc3F)cn2)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 4/20 0.67
GRIN1 Q05586 2/20 0.67
GRIN2B Q13224 1/20 0.49
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
SCD O00767 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GCGR P47871 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDR1 Q08345 1/20 0.37
MMP13 P45452 1/20 0.36

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
SCHEMBL16615941 0.89 GRIN2A (0.63) GRIN2AGRIN1GRIN2BMAPTGAA
SCHEMBL16615789 0.88 GRIN2A (0.53) GRIN2AGRIN1GRIN2BMAPTUSP2
SCHEMBL16615821 0.85 GRIN2A (0.65) GRIN2AGRIN1GRIN2BMAPTUSP2
SCHEMBL16615945 0.85 GRIN2A (0.77) GRIN2AGRIN1GRIN2BMAPTMAPK1
SCHEMBL16615937 0.83 GRIN2A (0.61) GRIN2AGRIN1GRIN2BALDH1A1HPGD
SCHEMBL16713086 0.82 GRIN2A (0.57) GRIN2AGRIN1GRIN2BMAPTUSP2
SCHEMBL16598054 0.81 GRIN2A (1.00) GRIN2AGRIN1GRIN2BMAPTUSP2
SCHEMBL16615944 0.80 GRIN2A (0.59) GRIN2AGRIN1GRIN2BSCD
SCHEMBL16615814 0.80 GRIN2A (0.61) GRIN2AGRIN1GRIN2BALDH1A1HTT
SCHEMBL16598233 0.79 GRIN2A (0.85) GRIN2AGRIN1GRIN2BMAPTUSP2

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 8 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
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.