SCHEMBL21434043

SCHEMBL21434043

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.46
▸ TRPA1 O75762 3/20 0.44
▸ NOTUM Q6P988 2/20 0.44
▸ ABL1 P00519 9/20 0.43
▸ BCR P11274 2/20 0.43
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 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
SCHEMBL21434055 0.94 EPHX2 (0.44) TRPA1ABL1BCRSCN9AEPHX2
SCHEMBL21433952 0.92 KIT (0.46) TRPA1ABL1BCRKIT
SCHEMBL21434152 0.88 NOTUM (0.55) NOTUMABL1BCRSCN9AITGB2
SCHEMBL21433972 0.83 ITGB2 (0.54) TRPA1ABL1BCRSCN9AITGB2
SCHEMBL21434097 0.82 ITGB2 (0.56) ABL1BCRSCN9AITGB2ICAM1
SCHEMBL21433969 0.81 CHRM4 (0.51) TRPA1ABL1BCREPHX2
SCHEMBL21453035 0.81 ABL1 (0.42) ABL1BCR
SCHEMBL21434098 0.80 SMPD3 (0.51) TRPA1ABL1BCRCCNCCDK8
SCHEMBL21452658 0.80 ITGB2 (0.46) TRPA1ABL1BCRCCNCCDK8
SCHEMBL21433920 0.80 ITGB2 (0.46) TRPA1ABL1BCRCCNCCDK8

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 MAP4K4 1667/4885TRPA1 790/4885NOTUM 4801/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B MAP4K4 1667/4885TRPA1 790/4885NOTUM 4801/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B MAP4K4 1793/4885TRPA1 875/4885NOTUM 4816/4885

“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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