SCHEMBL18363391

SCHEMBL18363391

O=C(Cn1ccc2ncc(-c3cc(F)c(F)c(F)c3)cc21)NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 1.00
▸ CYP2C9 P11712 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ GRIN1 Q05586 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68

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
SCHEMBL18363238 0.91 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363492 0.90 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363304 0.88 GRIN2B (1.00) GRIN2B
SCHEMBL18363384 0.88 GRIN2B (1.00) GRIN2B
SCHEMBL18363214 0.86 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363488 0.86 GRIN2B (1.00) GRIN2B
SCHEMBL18363297 0.86 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363213 0.85 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363240 0.84 GRIN2B (1.00) GRIN2BCYP2C9CYP2C19GRIN1KCNH2
SCHEMBL18363218 0.84 GRIN2B (1.00) GRIN2B

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-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 1/4885CYP2C9 2384/4885CYP2C19 1530/4885
US-10377753-B2 Substituted 4-azaindoles and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885CYP2C9 2384/4885CYP2C19 1530/4885
US-20170008890-A1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885CYP2C9 2384/4885CYP2C19 1530/4885

“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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