SCHEMBL25085564

SCHEMBL25085564

CC(C)c1ccc(N2CCC(N(C)C)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 13/20 0.45
CDK2 P24941 4/20 0.45
CCNA2 P20248 2/20 0.45
CCND1 P24385 2/20 0.45
CCNA1 P78396 2/20 0.45
GSK3B P49841 1/20 0.45
KDM1A O60341 1/20 0.45
CCNE1 P24864 1/20 0.41
HSF1 Q00613 1/20 0.41
CDK6 Q00534 5/20 0.41
CCND3 P30281 1/20 0.41
CDK1 P06493 1/20 0.39
RORC P51449 1/20 0.39
CTSC P53634 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL17660306 0.83 MAPT (0.45)
SCHEMBL12695037 0.83 USP2 (0.44)
SCHEMBL21267710 0.83 HRH3 (0.41)
SCHEMBL17660305 0.82 MAPT (0.46) CDK4CDK2CCNA2CCND1CDK6
SCHEMBL21266987 0.82 HRH3 (0.43) CDK4CDK2CCNA2CCND1GSK3B
SCHEMBL14307264 0.81 ACVR1 (0.46) CDK4CDK2CCNA2CCND1CCNA1
SCHEMBL23103862 0.81 HRH3 (0.40)
SCHEMBL23108854 0.81 HRH3 (0.40)
SCHEMBL23103165 0.81 HRH3 (0.40)
SCHEMBL21267364 0.80 CDK4 (0.40) CDK4CDK2CCNA2CCND1CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 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 (1 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-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK4 1/4885CDK2 6/4885CCNA2 38/4885

“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.