SCHEMBL17502254

SCHEMBL17502254

CC(F)(F)c1cc(-n2cc(Cn3ccnc3N)nn2)ccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 1.00
▸ RXRA P19793 12/20 0.61
▸ GRIN1 Q05586 12/20 0.61
▸ GRIN2B Q13224 12/20 0.61

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 SCHEMBL21802309 0.99 KCNH2 (0.98) KCNH2RXRAGRIN1GRIN2B
SCHEMBL21096700 0.88 KCNH2 (1.00) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502277 0.88 KCNH2 (1.00) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502282 0.84 KCNH2 (1.00) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502227 0.81 KCNH2 (1.00) KCNH2RXRAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL21802319 0.81 KCNH2 (0.98) KCNH2RXRAGRIN1GRIN2B
SCHEMBL19211525 0.81 KCNH2 (0.67) KCNH2RXRAGRIN1GRIN2B
SCHEMBL17502318 0.80 KCNH2 (0.91) KCNH2
SCHEMBL17502292 0.78 KCNH2 (0.85) KCNH2GRIN2B
SCHEMBL19211436 0.78 RXRA (0.70) 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 11 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 claimed
US-10323021-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2019-06-18 — — US claimed
US-20180282305-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2018-10-04 — — US claimed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — US claimed
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 2017-08-10 — — US claimed
EP-3180329-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2017-06-21 — — EP claimed
WO-2016025917-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS Janssen Pharmaceuticals, Inc. (US) 2016-02-18 — — WO claimed
US-9981950-B2 Triazoles as NR2B receptor inhibitors Janssen Pharmaceuticals, Inc. (US) 2018-05-29 — — 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-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS JANSSEN PHARMACEUTICALS INC (US) 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 (3 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 KCNH2 2545/4885RXRA 1823/4885GRIN1 2/4885
US-20170226087-A1 TRIAZOLES AS NR2B RECEPTOR INHIBITORS GRIN2B, GRIN1, GRIN3A KCNH2 2545/4885RXRA 1823/4885GRIN1 2/4885
US-10323021-B2 Triazoles as NR2B receptor inhibitors GRIN2B, GRIN1, GRIN3A KCNH2 2545/4885RXRA 1823/4885GRIN1 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.

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