SCHEMBL21452730

SCHEMBL21452730

CC(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3ccc(OC(F)(F)F)c(F)c3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CDK5 Q00535 4/20 0.42
▸ CDK1 P06493 3/20 0.42
▸ CDK3 Q00526 3/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ CCNT1 O60563 3/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ GSK3A P49840 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ CDK5R1 Q15078 2/20 0.42
▸ EPHX2 P34913 7/20 0.38
▸ CDC7 O00311 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ PIM1 P11309 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
SCHEMBL21433984 1.00 CDK9 (0.42) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21434007 1.00 CDK9 (0.42) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21433986 1.00 CDK9 (0.42) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21433953 0.96 CDK1 (0.41) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21433951 0.96 CDK1 (0.41) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21452616 0.96 CDK1 (0.41) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21452944 0.96 CDK1 (0.41) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21434066 0.96 CDK1 (0.41) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21452613 0.93 EPHX2 (0.39) CDK9CDK2CDK5CDK1CDK3
SCHEMBL21433913 0.93 EPHX2 (0.39) CDK9CDK2CDK5CDK1CDK3

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 4 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 disclosed
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-05-18 — — US 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 CDK9 713/4885CDK2 413/4885CDK5 304/4885
US-20210340121-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3B CDK9 713/4885CDK2 413/4885CDK5 304/4885
US-11008302-B2 Substituted pyridine and pyrimidines and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3B CDK9 700/4885CDK2 411/4885CDK5 297/4885

“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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