SCHEMBL20988439

SCHEMBL20988439

COc1cnc(OC(C)=Cc2cn(-c3ccc(Cl)c(OC(F)F)c3)nn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 20/20 0.66
▸ GRIN2B Q13224 20/20 0.66
▸ RXRA P19793 19/20 0.66
▸ KCNH2 Q12809 1/20 0.53

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
SCHEMBL20988374 0.81 RXRA (0.56) GRIN1GRIN2BRXRAKCNH2
SCHEMBL20561006 0.79 RXRA (1.00) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19211294 0.79 RXRA (1.00) GRIN1GRIN2BRXRAKCNH2
SCHEMBL28604844 0.79 RXRA (1.00) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19219180 0.79 GRIN1 (1.00) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19211364 0.73 GRIN1 (0.57) GRIN1GRIN2BRXRAKCNH2
SCHEMBL17502279 0.73 RXRA (0.64) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19219186 0.72 GRIN1 (1.00) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19211355 0.72 RXRA (0.69) GRIN1GRIN2BRXRAKCNH2
SCHEMBL19211356 0.72 RXRA (0.69) GRIN1GRIN2BRXRAKCNH2

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-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

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

For each of this compound's patents that has machine-readable text (2 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 GRIN1 3/4885GRIN2B 4/4885RXRA 2100/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 GRIN1 3/4885GRIN2B 4/4885RXRA 2100/4885

“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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