SCHEMBL21434094

SCHEMBL21434094

Cc1cc(-c2cc(N3CCC(C(=O)NCCO)CC3)ncn2)ccc1OC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.49
▸ CHRM1 P11229 4/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ ITGB2 P05107 3/20 0.42
▸ ICAM1 P05362 3/20 0.42
▸ ITGAL P20701 3/20 0.42
▸ CHRM4 P08173 6/20 0.42
▸ CD274 Q9NZQ7 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EPHX2 P34913 2/20 0.40
▸ SMO Q99835 1/20 0.40

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
SCHEMBL21434028 0.91 CHRM2 (0.47) CHRM2CHRM1CHRM3ITGB2ICAM1
SCHEMBL21434030 0.90 KMO (0.50) CHRM2CHRM1CHRM3ITGB2ICAM1
SCHEMBL21433966 0.88 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRM4CD274
SCHEMBL21433969 0.87 CHRM4 (0.51) CHRM2CHRM1CHRM4EPHX2
SCHEMBL21434163 0.86 ITGB2 (0.55) CHRM2CHRM1CHRM3ITGB2ICAM1
SCHEMBL21434106 0.81 ITGB2 (0.50) ITGB2ICAM1ITGALEPHX2SMO
SCHEMBL21434009 0.81 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4KDM4E
SCHEMBL21452927 0.81 ITGB2 (0.47) ITGB2ICAM1ITGALCHRM4EPHX2
SCHEMBL21452903 0.80 KMO (0.48) CHRM1CHRM3ITGB2ICAM1ITGAL
SCHEMBL21452765 0.79 ITGB2 (0.40) ITGB2ICAM1ITGALKDM4EALDH1A1

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 CHRM2 699/4885CHRM1 781/4885CHRM3 648/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CHRM2 699/4885CHRM1 781/4885CHRM3 648/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CHRM2 720/4885CHRM1 750/4885CHRM3 651/4885

“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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