SCHEMBL21434097

SCHEMBL21434097

NC(=O)C1CCCN(c2cc(-c3ccc(OC(F)(F)F)cc3)ncn2)C1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 4/20 0.56
▸ ICAM1 P05362 4/20 0.56
▸ ITGAL P20701 4/20 0.56
▸ JAK2 O60674 2/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ FPR2 P25090 1/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ DGAT2 Q96PD7 2/20 0.47
▸ ABL1 P00519 4/20 0.46
▸ BCR P11274 1/20 0.46
▸ ALK Q9UM73 2/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ DPP4 P27487 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ IGF1R P08069 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
SCHEMBL21433972 0.88 ITGB2 (0.54) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21434152 0.85 NOTUM (0.55) ITGB2ICAM1ITGALSCN9ADGAT2
SCHEMBL21434043 0.82 MAP4K4 (0.46) ITGB2ICAM1ITGALSCN9AABL1
SCHEMBL21434172 0.80 NPC1 (0.62) SCN9AABL1BCRDPP4LRRK2
SCHEMBL21433963 0.79 ABL1 (0.46) ITGB2ICAM1ITGALSCN9AABL1
SCHEMBL27801034 0.79 ITGB2 (0.55) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21433952 0.79 KIT (0.46) ABL1BCRDPP4
SCHEMBL28785976 0.78 ITGB2 (0.49) ITGB2ICAM1ITGALJAK2JAK3
SCHEMBL21434055 0.77 EPHX2 (0.44) ITGB2ICAM1ITGALSCN9AABL1
SCHEMBL21433974 0.76 ITGB2 (0.54) ITGB2ICAM1ITGALJAK2JAK3

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 13 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 claimed
EP-3774732-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2021-02-17 — — EP claimed
WO-2019193516-A2 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — WO claimed
US-20190308950-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-10 — — US claimed
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-11-04 — — US disclosed
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
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
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
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 ITGB2 1763/4885ICAM1 4616/4885ITGAL 1975/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B ITGB2 1763/4885ICAM1 4616/4885ITGAL 1975/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B ITGB2 1693/4885ICAM1 4534/4885ITGAL 2140/4885

“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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