SCHEMBL27224368

SCHEMBL27224368

CC(C)(C(N)=O)n1ncc2ncc(-c3ccc(OC(F)(F)F)cc3)nc21

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 8/20 0.61
▸ SCN5A Q14524 2/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ DHODH Q02127 1/20 0.40
▸ SCN10A Q9Y5Y9 3/20 0.39
▸ MET P08581 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ BCR P11274 1/20 0.38
▸ SCN2A Q99250 1/20 0.38

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
SCHEMBL27224372 0.77 GRIN2B (0.56) GRIN2B
SCHEMBL22772854 0.76 GRIN2B (1.00) GRIN2B
SCHEMBL29465730 0.76 GRIN2B (1.00) GRIN2B
SCHEMBL27224374 0.76 GRIN2B (0.58) GRIN2B
SCHEMBL27224375 0.75 GRIN2B (0.60) GRIN2B
SCHEMBL24263651 0.67 HDAC6 (0.60) GRIN2BADORA3DHODHSCN10ANPC1
SCHEMBL27996626 0.66 SCN10A (0.61) ADORA3SCN10AABL1BCRSCN2A
SCHEMBL6311026 0.65 MAPT (0.48) GRIN2BADORA3DHODHNPC1MAPT
SCHEMBL1758365 0.65 ABL1 (0.57) ADORA3SCN10ACYP1A2NPC1MAPT
SCHEMBL27745191 0.65 DHODH (0.46) GRIN2BADORA3DHODHSCN10ACYP1A2

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 1/4885SCN5A 197/4885ADORA3 799/4885

“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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