SCHEMBL22802741

SCHEMBL22802741

O=C(Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21)N1CCC(F)(F)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.67
▸ GRIN1 Q05586 16/20 0.67
▸ CYP2C9 P11712 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL29550496 1.00 GRIN2B (0.67) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775639 0.95 GRIN2B (0.61) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550361 0.95 GRIN2B (0.61) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775595 0.93 GRIN2B (0.73) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550486 0.93 GRIN2B (0.73) GRIN2BGRIN1CYP2C9KCNH2
Trifluoroacetic Acid SCHEMBL29550144 0.90 GRIN2B (0.70) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22775294 0.87 GRIN2B (0.63) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550191 0.87 GRIN2B (0.63) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL22802738 0.87 GRIN2B (0.62) GRIN2BGRIN1CYP2C9KCNH2
SCHEMBL29550434 0.87 GRIN2B (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 — — US disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 — — US disclosed
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 — — US disclosed
WO-2020249792-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 — — WO 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-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A GRIN2B 1/4885GRIN1 5/4885CYP2C9 2559/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A GRIN2B 1/4885GRIN1 5/4885CYP2C9 2601/4885

“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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