SCHEMBL25068552

SCHEMBL25068552

CN1CCN(c2ccc(Nc3nccc(-c4cccc(Cl)c4)n3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 1.00
CCND3 P30281 5/20 1.00
GSK3B P49841 5/20 1.00
CCNA2 P20248 10/20 0.82
CDK2 P24941 10/20 0.82
CCNA1 P78396 10/20 0.82
PIM1 P11309 4/20 0.81
MTOR P42345 3/20 0.80
AURKA O14965 1/20 0.63
CCNK O75909 1/20 0.63
SLC2A1 P11166 1/20 0.63
CDK12 Q9NYV4 1/20 0.63
PLK1 P53350 1/20 0.55
CAMK2D Q13557 2/20 0.53

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
SCHEMBL25068538 0.90 CCNA2 (0.83) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068503 0.90 CCNA2 (1.00) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068525 0.90 CCNA2 (0.84) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068536 0.90 CDK4 (1.00) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068497 0.89 CCNA2 (1.00) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068207 0.88 CCNA2 (1.00) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068526 0.87 CCNA2 (1.00) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068486 0.87 CCNA2 (0.82) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL25068517 0.86 CDK4 (0.82) CDK4CCND3GSK3BCCNA2CDK2
SCHEMBL29761384 0.86 CDK4 (0.82) CDK4CCND3GSK3BCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820753-B2 Inhibitors of bacterial pasta kinases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-21 US disclosed
US-11820753-B2 Inhibitors of bacterial pasta kinases WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-21 US disclosed
US-20230060122-A9 INHIBITORS OF BACTERIAL PASTA KINASES WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-02-23 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 (2 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-11820753-B2 Inhibitors of bacterial pasta kinases SBK3, MAP3K3, MAP4K3 CDK4 575/4885CCND3 533/4885GSK3B 563/4885
US-20230060122-A9 INHIBITORS OF BACTERIAL PASTA KINASES SBK3, MAP3K3, MAP4K3 CDK4 575/4885CCND3 533/4885GSK3B 563/4885

“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.