SCHEMBL30643133

SCHEMBL30643133

CN(C)C(=O)c1cc2cnc(N[C@@H]3CCOC[C@H]3O)nc2n1-c1ccc2c(c1)C(F)(F)CCC2N(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.40
CCND1 P24385 12/20 0.40
CCND3 P30281 12/20 0.40
CDK6 Q00534 11/20 0.40
CDK1 P06493 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK2 P24941 2/20 0.38
CDK9 P50750 2/20 0.38
GAK O14976 1/20 0.38
CCNA2 P20248 1/20 0.38
FECH P22830 1/20 0.38
CDK16 Q00536 1/20 0.38
MAP3K1 Q13233 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
Q6ZSR9 Q6ZSR9 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
SIK2 Q9H0K1 1/20 0.38

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
SCHEMBL30643147 0.93 CDK4 (0.40) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643095 0.90 CDK4 (0.40) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643140 0.86 CDK4 (0.42) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643118 0.85 CDK4 (0.42) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643141 0.82 CDK4 (0.47) CDK4CCND1CCND3CDK6
SCHEMBL30643129 0.81 CDK4 (0.38) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643100 0.80 CDK4 (0.42) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL30643102 0.79 CDK1 (0.46) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643103 0.79 CDK4 (0.44) CDK4CCND1CCND3CDK6CDK1
SCHEMBL30643138 0.79 CDK4 (0.42) CDK4CCND1CCND3CDK6CDK1

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 69/4885CCND3 74/4885

“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.