SCHEMBL30643145

SCHEMBL30643145

CN(C)C(=O)c1cc2cnc(Cl)nc2n1-c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.50
NR1H2 P55055 2/20 0.43
CDK2 P24941 2/20 0.41
MAPT P10636 2/20 0.39
AURKA O14965 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CDK4 P11802 4/20 0.37
QRFPR Q96P65 2/20 0.37
HDAC1 Q13547 1/20 0.36
IGF1R P08069 1/20 0.36
NR1H3 Q13133 1/20 0.35
MAP3K5 Q99683 1/20 0.35
CDK1 P06493 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
ACACB O00763 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
SCHEMBL31267397 1.00 ESR2 (0.50) ESR2NR1H2CDK2MAPTAURKA
SCHEMBL2303422 0.74 CDK4 (0.51) CDK2AURKACDK4CDK1
SCHEMBL26637834 0.73 CDK4 (0.41) CDK2CDK4CDK1
SCHEMBL30368378 0.73 ESR2 (0.67) ESR2NR1H2MAPTHDAC1
SCHEMBL30301704 0.73 ESR2 (0.67) ESR2NR1H2MAPTHDAC1
SCHEMBL2304507 0.71 CDK4 (0.47) CDK2CDK4HDAC1CDK1
SCHEMBL26638064 0.71 CDK4 (0.41) CDK2CDK4CDK1
SCHEMBL12518355 0.70 ESR2 (0.55) ESR2NR1H2CDK2MAPTIGF1R
SCHEMBL31621670 0.70 ESR2 (0.78) ESR2NR1H2LMNATP53HDAC1
SCHEMBL19684692 0.70 ESR2 (0.78) ESR2NR1H2LMNATP53HDAC1

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 ESR2 2023/4885NR1H2 3450/4885CDK2 2/4885

“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.