SCHEMBL19220682

SCHEMBL19220682

CCc1cn(-c2ccc(F)c(C(F)F)c2)nn1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.69
GRIN1 Q05586 12/20 0.69
GRIN2B Q13224 12/20 0.69
KCNH2 Q12809 8/20 0.69

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
SCHEMBL19220684 0.86 GRIN1 (0.70) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211488 0.86 KCNH2 (0.65) RXRAGRIN1GRIN2BKCNH2
SCHEMBL19211361 0.86 RXRA (0.69) RXRAGRIN1GRIN2BKCNH2
SCHEMBL17502239 0.86 RXRA (0.68) RXRAGRIN1GRIN2BKCNH2
SCHEMBL17502295 0.82 KCNH2 (1.00) KCNH2
SCHEMBL20988383 0.82 RXRA (0.82) RXRAGRIN1GRIN2B
SCHEMBL19211343 0.82 GRIN1 (1.00) RXRAGRIN1GRIN2B
SCHEMBL17502207 0.81 KCNH2 (1.00) KCNH2
SCHEMBL17502328 0.81 KCNH2 (0.58) RXRAGRIN1GRIN2BKCNH2
SCHEMBL28266328 0.80 KCNH2 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20170226087-A1 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.