SCHEMBL21433987

SCHEMBL21433987

COc1ccc(-c2cc(N3CCC(NC(C)=O)CC3)ncn2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 5/20 0.52
▸ SUV39H2 Q9H5I1 3/20 0.48
▸ STK4 Q13043 1/20 0.47
▸ STK3 Q13188 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47
▸ SMO Q99835 1/20 0.46
▸ ITGB2 P05107 2/20 0.46
▸ ICAM1 P05362 2/20 0.46
▸ ITGAL P20701 2/20 0.46
▸ SMPD3 Q9NY59 4/20 0.45
▸ MALT1 Q9UDY8 1/20 0.44
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ SMPD2 O60906 1/20 0.43

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
SCHEMBL21434048 0.89 SMO (0.50) KMOSTK4STK3LRRK2SMO
SCHEMBL21434062 0.89 KMO (0.53) KMOSUV39H2STK4STK3LRRK2
SCHEMBL21433968 0.88 SMPD3 (0.52) STK4STK3LRRK2ITGB2ICAM1
SCHEMBL21434118 0.88 SMO (0.54) KMOSTK4STK3LRRK2SMO
SCHEMBL21434125 0.85 SMO (0.53) KMOSTK4STK3LRRK2SMO
SCHEMBL21434165 0.84 SMO (0.46) KMOSUV39H2STK4STK3LRRK2
SCHEMBL21434046 0.84 ITGB2 (0.49) KMOSTK4STK3LRRK2SMO
SCHEMBL21434086 0.83 ITGB2 (0.57) KMOSTK4STK3LRRK2SMO
SCHEMBL21434000 0.81 ITGB2 (0.51) KMOITGB2ICAM1ITGALSMPD3
SCHEMBL21433946 0.80 ITGB2 (0.51) STK4STK3LRRK2SMOITGB2

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 KMO 1063/4885SUV39H2 4009/4885STK4 2788/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B KMO 1063/4885SUV39H2 4009/4885STK4 2788/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B KMO 1078/4885SUV39H2 3916/4885STK4 2714/4885

“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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