SCHEMBL19211488

SCHEMBL19211488

NCc1cn(-c2ccc(F)c(C(F)F)c2)nn1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.65
RXRA P19793 14/20 0.64
GRIN1 Q05586 14/20 0.64
GRIN2B Q13224 14/20 0.64

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
SCHEMBL19211420 0.86 NOTUM (0.70) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19211361 0.86 RXRA (0.69) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502239 0.86 RXRA (0.68) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19220682 0.86 RXRA (0.69) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19211460 0.81 RXRA (0.68) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19211349 0.81 RXRA (0.63) KCNH2RXRAGRIN1GRIN2B
SCHEMBL28267795 0.79 KCNH2 (0.61) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502227 0.79 KCNH2 (1.00) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19219179 0.78 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL17502275 0.78 KCNH2 (0.64) KCNH2RXRAGRIN1GRIN2B

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-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
EP-3414233-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS Janssen Pharmaceutica NV (BE) 2018-12-19 EP disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO 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 KCNH2 1973/4885RXRA 2100/4885GRIN1 3/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 KCNH2 1973/4885RXRA 2100/4885GRIN1 3/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 KCNH2 1973/4885RXRA 2100/4885GRIN1 3/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 KCNH2 1973/4885RXRA 2100/4885GRIN1 3/4885

“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.