SCHEMBL19219152

SCHEMBL19219152

Cc1cnc(Cl)nc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
SYK P43405 1/20 0.36
NFKB1 P19838 3/20 0.35
ATF1 P18846 1/20 0.35
PAX8 Q06710 1/20 0.35
USP30 Q70CQ3 1/20 0.34
NUDT1 P36639 2/20 0.33
JUN P05412 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
MAPK1 P28482 1/20 0.32
XPO1 O14980 1/20 0.32
ABL1 P00519 1/20 0.32
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL26975222 0.87 SYK (0.40) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL30918623 0.79 STK17B (0.37) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL30918626 0.78 STK17B (0.36) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL30938824 0.77 STK17B (0.37) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL25323395 0.77 STK17B (0.45) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL30550836 0.77 STK17B (0.45) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL30068217 0.73 ALDH1A1 (0.38) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL26647074 0.73 ALDH1A1 (0.38) STK17BSTK17ASYKNFKB1ATF1
SCHEMBL14771780 0.73 SYK (0.33) STK17BSTK17ASYK
SCHEMBL30918630 0.73 STK17B (0.39) STK17BSTK17ASYKPAX8XPO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 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 (4 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-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 STK17B 691/4885STK17A 929/4885SYK 1835/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 STK17B 691/4885STK17A 929/4885SYK 1835/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 STK17B 691/4885STK17A 929/4885SYK 1835/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 STK17B 691/4885STK17A 929/4885SYK 1835/4885

“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.