SCHEMBL30727554

SCHEMBL30727554

COc1ncc2c(n1)N(C1CCCC1)C(=O)C(C)(C)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.54
▸ CDK2 P24941 6/20 0.54
▸ MARK3 P27448 3/20 0.39
▸ MARK4 Q96L34 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ BACE1 P56817 2/20 0.36
▸ CTSE P14091 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 2/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL21840670 1.00 CCNE1 (0.54) CCNE1CDK2MARK3MARK4MEN1
SCHEMBL21840684 0.82 CCNE1 (0.52) CCNE1CDK2MARK3MARK4ALDH1A1
SCHEMBL21840668 0.79 CYP1A2 (0.40) CCNE1CDK2MEN1ALDH1A1CYP1A2
SCHEMBL21840641 0.72 CCNE1 (0.80) CCNE1CDK2
SCHEMBL29390334 0.72 CCNE1 (0.80) CCNE1CDK2
SCHEMBL21840671 0.71 CDK2 (1.00) CCNE1CDK2MARK3MARK4
SCHEMBL29390896 0.71 CDK2 (1.00) CCNE1CDK2MARK3MARK4
SCHEMBL29390921 0.69 CDK2 (0.71) CCNE1CDK2MARK3MARK4
SCHEMBL25045063 0.64 KDM4E (0.41) CCNE1CDK2MARK3MARK4MEN1
SCHEMBL22165209 0.64 CCNE1 (0.41) CCNE1CDK2MARK3MARK4MEN1

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-11866432-B2 Dihydropyrido[2,3-d]pyrimidinone compounds as CDK2 inhibitors INCYTE CORPORATION (US) 2024-01-09 — — 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-11866432-B2 Dihydropyrido[2,3-d]pyrimidinone compounds as CDK2 inhibitors CDK2, CDK4, CDK3 CCNE1 35/4885CDK2 1/4885MARK3 1204/4885

“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.

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