SCHEMBL19203773

SCHEMBL19203773

CCNC(=O)Cc1ncc(C(C)(C)C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.50
CCNE2 O96020 12/20 0.50
CCNE1 P24864 12/20 0.50
CCND3 P30281 5/20 0.43
HDAC3 O15379 4/20 0.43
HDAC4 P56524 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
HDAC5 Q9UQL6 4/20 0.43
CDK6 Q00534 3/20 0.43
CCNB2 O95067 6/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
CCNB3 Q8WWL7 6/20 0.42

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
SCHEMBL17328441 0.77 CDK2 (0.43) CDK2CCNE2CCNE1CCND3HDAC3
SCHEMBL13827907 0.72 CDK2 (0.44) CDK2CCNE2CCNE1CCND3CCNB2
SCHEMBL13616184 0.72 CDK2 (0.48) CDK2CCNE2CCNE1CCND3HDAC3
SCHEMBL10268216 0.72 CDK2 (0.46) CDK2CCNE2CCNE1CCND3CCNB2
SCHEMBL5724749 0.70 CDK2 (0.45) CDK2CCNE2CCNE1CCND3HDAC3
SCHEMBL3719448 0.69 RXRA (0.51) CDK2CCNE2CCNE1CCND3HDAC3
SCHEMBL3712368 0.69 CDK2 (0.42) CDK2CCNE2CCNE1CCND3HDAC3
SCHEMBL10150924 0.68 CCNE1 (0.41) CDK2CCNE1HPGD
SCHEMBL19825530 0.67 CDK2 (0.43) CDK2CCNE2CCNE1CCND3CCNB2
SCHEMBL20583110 0.67 CDK2 (0.40) CDK2CCNE2CCNE1CCND3HDAC3

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 CDK2 59/4885CCNE2 1101/4885CCNE1 660/4885

“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.