SCHEMBL30643100

SCHEMBL30643100

CN1CCc2cc(-n3c(C(=O)N(C)C)cc4cnc(N[C@@H]5CCOC[C@H]5O)nc43)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.42
CCND1 P24385 15/20 0.42
MAPK1 P28482 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CCND3 P30281 9/20 0.41
CDK6 Q00534 9/20 0.41

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
SCHEMBL30643140 0.84 CDK4 (0.42) CDK4CCND1CCND3CDK6
SCHEMBL30643141 0.84 CDK4 (0.47) CDK4CCND1CCND3CDK6
SCHEMBL30643118 0.83 CDK4 (0.42) CDK4CCND1CCND3CDK6
SCHEMBL30643102 0.82 CDK1 (0.46) CDK4CCND1CCND3CDK6
SCHEMBL30643147 0.81 CDK4 (0.40) CDK4CCND1CCND3CDK6
SCHEMBL30643095 0.81 CDK4 (0.40) CDK4CCND1CCND3CDK6
SCHEMBL30643133 0.80 CDK4 (0.40) CDK4CCND1CCNT1CDK9CCND3
SCHEMBL30643116 0.80 CDK4 (0.44) CDK4CCND1CCND3CDK6
SCHEMBL30643103 0.80 CDK4 (0.44) CDK4CCND1CCNT1CDK9CCND3
SCHEMBL30643096 0.77 CDK4 (0.41) CDK4CCND1CCNT1CDK9CCND3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
US-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-02-27 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 WO 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-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CDK1, CDK2, CDK4 CDK4 3/4885CCND1 69/4885MAPK1 224/4885

“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.