SCHEMBL22286733

SCHEMBL22286733

COc1ccc(CC(=O)Nc2cc([C@@H]3C[CH]CC3)[nH]n2)cn1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 20/20 0.68
CDK2 P24941 20/20 0.68
GSK3B P49841 16/20 0.66

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
SCHEMBL22286798 1.00 CCNE1 (0.68) CCNE1CDK2GSK3B
SCHEMBL22311148 0.89 CDK2 (0.71) CCNE1CDK2GSK3B
SCHEMBL22286790 0.87 CDK2 (0.64) CCNE1CDK2GSK3B
SCHEMBL22286851 0.87 CDK2 (0.64) CCNE1CDK2GSK3B
SCHEMBL22286726 0.86 CCNE1 (0.69) CCNE1CDK2GSK3B
SCHEMBL22286675 0.86 CCNE1 (0.69) CCNE1CDK2GSK3B
SCHEMBL22286707 0.86 CDK2 (0.79) CCNE1CDK2GSK3B
SCHEMBL22287151 0.86 CDK2 (0.79) CCNE1CDK2GSK3B
SCHEMBL22287070 0.85 CDK2 (0.65) CCNE1CDK2GSK3B
SCHEMBL22286827 0.84 CDK2 (0.66) CCNE1CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014911-B2 CDK2 inhibitors PFIZER INC. (US) 2021-05-25 US disclosed
US-20200247784-A1 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 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-20200247784-A1 CDK2 INHIBITORS CDK2, CDK1, CCNI CCNE1 8/4885CDK2 1/4885GSK3B 114/4885
US-11014911-B2 CDK2 inhibitors CDK2, CDK1, CCNI CCNE1 8/4885CDK2 1/4885GSK3B 114/4885

“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.