SCHEMBL18363312

SCHEMBL18363312

O=C(Cn1ccc2ncc(-c3cccc(C(F)(F)F)c3)cc21)N1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 1.00
▸ GRIN1 Q05586 2/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ KCNH2 Q12809 1/20 1.00

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
SCHEMBL18363239 0.89 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363394 0.88 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363407 0.88 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363212 0.88 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363222 0.85 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363491 0.85 GRIN2B (1.00) GRIN2B
SCHEMBL18363496 0.85 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL18363605 0.85 GRIN2B (1.00) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550201 0.84 GRIN2B (0.72) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775695 0.84 GRIN2B (0.72) GRIN2BGRIN1CYP2C9KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026094-B Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2021-02-09 — — CN claimed
EP-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 — — EP claimed
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2019-08-13 — — US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 — — US disclosed
US-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-07-26 — — US disclosed
US-9963447-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-08 — — US disclosed
US-9963447-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-05-08 — — US disclosed
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-01-12 — — US disclosed
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-01-12 — — 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-20180208595-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 6/4885CYP2C9 2384/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 6/4885CYP2C9 2384/4885
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 6/4885CYP2C9 2384/4885

“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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