SCHEMBL22802831

SCHEMBL22802831

O=C(Cn1ncc2ncc(-c3cccc(C(F)(F)F)c3)cc21)NC1COC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 20/20 0.67
▸ GRIN2B Q13224 20/20 0.67
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ KCNH2 Q12809 1/20 0.62

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
SCHEMBL29550992 1.00 GRIN1 (0.67) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL29550108 0.92 GRIN2B (0.73) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL22775465 0.92 GRIN2B (0.73) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL22802721 0.90 GRIN2B (0.68) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL29550337 0.90 GRIN2B (0.68) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL22775267 0.89 GRIN2B (0.69) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL29550743 0.89 GRIN2B (0.69) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL22775445 0.88 GRIN1 (0.61) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL29550431 0.88 GRIN1 (0.61) GRIN1GRIN2BCYP2C9CYP2C19KCNH2
SCHEMBL22775113 0.84 GRIN1 (0.64) GRIN1GRIN2B

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 GRIN1 5/4885GRIN2B 1/4885CYP2C9 2559/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A GRIN1 5/4885GRIN2B 1/4885CYP2C9 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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