SCHEMBL21433962

SCHEMBL21433962

CC(=O)NC1CCN(c2ccnc(-c3ccc(OC(F)F)c(F)c3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 3/20 0.42
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ SIK1 P57059 4/20 0.40
▸ SIK2 Q9H0K1 4/20 0.40
▸ SIK3 Q9Y2K2 4/20 0.40
▸ PDE4D Q08499 4/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ SUV39H2 Q9H5I1 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ KRAS P01116 1/20 0.38
▸ SOS1 Q07889 1/20 0.38
▸ GRM2 Q14416 1/20 0.38

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
SCHEMBL21433937 0.93 SMPD3 (0.43) SMPD3CCNCCDK8SIK1SIK2
SCHEMBL21433904 0.91 PDE4D (0.41) SMPD3CCNCCDK8SIK1SIK2
SCHEMBL21434068 0.90 SMPD3 (0.52) SMPD3CCNCCDK8PDE4DSUV39H2
SCHEMBL21433960 0.88 EPHX2 (0.46) SMPD3CCNCCDK8ITGB2ICAM1
SCHEMBL21433959 0.87 SMPD3 (0.46) SMPD3ALOX5APFEN1SUV39H2GRIN2B
SCHEMBL21434175 0.87 CCNC (0.45) CCNCCDK8SUV39H2HRH4
SCHEMBL21434159 0.86 ITGB2 (0.43) SMPD3CCNCCDK8ITGB2ICAM1
SCHEMBL21434023 0.85 ITGB2 (0.48) SMPD3ALOX5APFEN1GRIN2BITGB2
SCHEMBL21433908 0.85 KRAS (0.46) SMPD3CCNCCDK8ALOX5APFEN1
SCHEMBL21452939 0.84 KMO (0.43) SMPD3CCNCCDK8PDE4DALOX5AP

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — 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-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 SMPD3 4779/4885CCNC 3711/4885CDK8 910/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B SMPD3 4779/4885CCNC 3711/4885CDK8 910/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B SMPD3 4753/4885CCNC 3632/4885CDK8 882/4885

“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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