SCHEMBL22286745

SCHEMBL22286745

Cc1cc(CC(=O)Nc2cc([C@@H]3C[CH]CC3)[nH]n2)ccn1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.60
CCNE1 P24864 12/20 0.60
GSK3B P49841 8/20 0.60
CCNA2 P20248 7/20 0.56
CCNA1 P78396 7/20 0.56
CDK5 Q00535 3/20 0.56
CDK5R1 Q15078 2/20 0.56
CCNB2 O95067 1/20 0.56
CCNE2 O96020 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
CDK9 P50750 2/20 0.52

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
SCHEMBL22286713 1.00 CDK2 (0.60) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22286675 0.87 CCNE1 (0.69) CDK2CCNE1GSK3B
SCHEMBL22286726 0.87 CCNE1 (0.69) CDK2CCNE1GSK3B
SCHEMBL22286790 0.86 CDK2 (0.64) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22286851 0.86 CDK2 (0.64) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22286808 0.84 CDK2 (0.61) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL25334996 0.83 CDK2 (0.80) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22286760 0.81 CDK2 (0.61) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22287144 0.81 CDK2 (0.61) CDK2CCNE1GSK3BCCNA2CCNA1
SCHEMBL22287151 0.80 CDK2 (0.79) CDK2CCNE1GSK3BCCNA2CCNA1

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 CDK2 1/4885CCNE1 8/4885GSK3B 114/4885
US-11014911-B2 CDK2 inhibitors CDK2, CDK1, CCNI CDK2 1/4885CCNE1 8/4885GSK3B 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.