SCHEMBL27224375

SCHEMBL27224375

CC(C)(C(N)=O)n1ncc2ncc(-c3ccc(C(F)(F)F)s3)nc21

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.60
▸ GRIN1 Q05586 11/20 0.38
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL28699350 0.79 GRIN2B (0.53) GRIN2BGRIN1CYP2D6
SCHEMBL29465727 0.75 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL22772880 0.75 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL27224368 0.75 GRIN2B (0.61) GRIN2B
SCHEMBL27224374 0.74 GRIN2B (0.58) GRIN2B
SCHEMBL27224372 0.74 GRIN2B (0.56) GRIN2B
SCHEMBL21611130 0.68 GRIN2B (0.61) GRIN2BGRIN1CYP2D6
SCHEMBL28687512 0.66 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL28736242 0.65 GRIN1 (0.65) GRIN2BGRIN1CYP2D6
SCHEMBL30015038 0.64 GRIN2B (0.44) GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-05-28 — — US claimed
CN-114008052-A Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators 詹森药业有限公司 2022-02-01 — — CN claimed
CN-114008052-A Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators 詹森药业有限公司 2022-02-01 — — CN 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-11993587-B2 Substituted pyrazolo-pyrazines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN2C GRIN2B 1/4885GRIN1 5/4885CYP2D6 2346/4885

“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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