SCHEMBL21452587

SCHEMBL21452587

CC(=O)N1CCN(c2ccnc(-c3ccc(OC(F)F)c(F)c3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.48
▸ CHEK1 O14757 1/20 0.44
▸ SIK1 P57059 1/20 0.42
▸ SIK2 Q9H0K1 1/20 0.42
▸ SIK3 Q9Y2K2 1/20 0.42
▸ PDE4D Q08499 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41

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
SCHEMBL21434024 0.87 GRIN2B (0.40) ALKGRIN2B
SCHEMBL21452690 0.86 CHEK1 (0.44) ALKCHEK1
SCHEMBL21433962 0.84 SMPD3 (0.42) SIK1SIK2SIK3PDE4DGRIN2B
SCHEMBL21452612 0.83 CHEK1 (0.47) CHEK1GRIN2B
SCHEMBL21433937 0.76 SMPD3 (0.43) SIK1SIK2SIK3PDE4DGRIN2B
SCHEMBL21452667 0.74 ENPP2 (0.48) CHEK1
SCHEMBL21434074 0.74 CYP2C9 (0.38) —
SCHEMBL21433904 0.74 PDE4D (0.41) SIK1SIK2SIK3PDE4D
SCHEMBL27106846 0.72 WNT3A (0.52) ALKCHEK1
SCHEMBL21434068 0.72 SMPD3 (0.52) PDE4D

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-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US disclosed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO disclosed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — 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-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ALK 1623/4885CHEK1 4071/4885SIK1 3593/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ALK 1623/4885CHEK1 4071/4885SIK1 3593/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ALK 1773/4885CHEK1 4154/4885SIK1 3349/4885

“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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