SCHEMBL17502279

SCHEMBL17502279

Cc1cn(-c2ccc(Cl)c(OC(F)F)c2)nn1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 19/20 0.64
▸ GRIN1 Q05586 19/20 0.64
▸ GRIN2B Q13224 19/20 0.64
▸ KCNH2 Q12809 2/20 0.62

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
SCHEMBL17502278 0.84 GRIN1 (0.60) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19220683 0.83 GRIN1 (0.73) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211426 0.83 GRIN1 (0.71) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19232586 0.82 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211356 0.82 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211355 0.82 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211554 0.82 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19219149 0.82 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211364 0.82 GRIN1 (0.57) RXRAGRIN1GRIN2BKCNH2
SCHEMBL20988374 0.81 RXRA (0.56) RXRAGRIN1GRIN2BKCNH2

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
EP-3180329-B1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2020-03-18 — — EP disclosed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US disclosed
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2018-10-04 — — US disclosed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US disclosed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 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
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP disclosed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — 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 (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-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A RXRA 1823/4885GRIN1 2/4885GRIN2B 1/4885
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A RXRA 1823/4885GRIN1 2/4885GRIN2B 1/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885
US-10323021-B2 Triazoles as NR2B receptor inhibitors GRIN2B, GRIN1, GRIN3A RXRA 1823/4885GRIN1 2/4885GRIN2B 1/4885

“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.

Send feedback