SCHEMBL21434152

SCHEMBL21434152

O=C(O)C1CCN(c2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.55
▸ FFAR4 Q5NUL3 2/20 0.50
▸ ITGB2 P05107 2/20 0.49
▸ ICAM1 P05362 2/20 0.49
▸ ITGAL P20701 2/20 0.49
▸ LRRK2 Q5S007 2/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ DPP4 P27487 4/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ BCR P11274 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ DGAT2 Q96PD7 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
SCHEMBL21434043 0.88 MAP4K4 (0.46) NOTUMITGB2ICAM1ITGALSCN9A
SCHEMBL21433972 0.86 ITGB2 (0.54) FFAR4ITGB2ICAM1ITGALLRRK2
SCHEMBL21434097 0.85 ITGB2 (0.56) ITGB2ICAM1ITGALLRRK2DPP4
SCHEMBL21434055 0.84 EPHX2 (0.44) FFAR4ITGB2ICAM1ITGALLRRK2
SCHEMBL21433952 0.81 KIT (0.46) DPP4ABL1BCR
SCHEMBL21433969 0.81 CHRM4 (0.51) ABL1BCR
SCHEMBL21433920 0.80 ITGB2 (0.46) ITGB2ICAM1ITGALSCN9AABL1
SCHEMBL21434098 0.80 SMPD3 (0.51) ITGB2ICAM1ITGALSCN9AABL1
SCHEMBL21433963 0.80 ABL1 (0.46) ITGB2ICAM1ITGALDPP4SCN9A
SCHEMBL14660647 0.78 NOTUM (0.57) NOTUMITGB2ICAM1ITGAL

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 5 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
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP 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 NOTUM 4801/4885FFAR4 339/4885ITGB2 1763/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B NOTUM 4801/4885FFAR4 339/4885ITGB2 1763/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B NOTUM 4816/4885FFAR4 519/4885ITGB2 1693/4885

“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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