SCHEMBL16615880

SCHEMBL16615880

Cc1ncc(CNC(=O)c2cnc(CN)c(C)n2)s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2A Q12879 4/20 0.59
GRIN1 Q05586 2/20 0.59
GRIN2B Q13224 1/20 0.59
SCD O00767 1/20 0.39
HDAC6 Q9UBN7 1/20 0.34
MAPK1 P28482 1/20 0.34
CNR1 P21554 2/20 0.33
DHFR P00374 1/20 0.32
PDE10A Q9Y233 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC8A1 P32418 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
Hydrochloric Acid SCHEMBL16598257 0.99 GRIN2A (0.58) GRIN2AGRIN1GRIN2BSCDHDAC6
SCHEMBL16598140 0.88 GRIN2A (0.50) GRIN2AGRIN1GRIN2BSCDHDAC6
SCHEMBL16598296 0.82 GRIN2A (0.53) GRIN2AGRIN1GRIN2BSCDHDAC6
SCHEMBL16615818 0.81 GRIN2A (0.62) GRIN2AGRIN1GRIN2BSCDMAPK1
SCHEMBL16597898 0.80 GRIN2A (0.55) GRIN2AGRIN1GRIN2BSCDHDAC6
SCHEMBL16598065 0.80 GRIN2A (0.51) GRIN2AGRIN1GRIN2BSCDHDAC6
SCHEMBL16598064 0.78 GRIN2A (0.54) GRIN2AGRIN1GRIN2BSCDPDE10A
SCHEMBL16615955 0.77 GRIN2A (0.76) GRIN2AGRIN1GRIN2BSCD
SCHEMBL16615960 0.77 GRIN2A (0.82) GRIN2AGRIN1GRIN2BSCDPOLB
SCHEMBL16615821 0.77 GRIN2A (0.65) GRIN2AGRIN1GRIN2BSCDMAPK1

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 4 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
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.