SCHEMBL30643148

SCHEMBL30643148

O=C1CCC(F)(F)c2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.40
S100A4 P26447 1/20 0.38
PDK2 Q15119 1/20 0.38
METAP1 P53582 1/20 0.38
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PARP10 Q53GL7 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP1 P09874 1/20 0.37
KDM1A O60341 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
CMA1 P23946 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL14053415 0.86 PARP1 (0.40) TDP2S100A4METAP1CA1CA2
SCHEMBL30016378 0.82 TDP2 (0.42) TDP2S100A4PDK2METAP1AKR1A1
SCHEMBL31277781 0.81 AKR1B1 (0.40) TDP2PDK2AKR1A1AKR1B1CA1
SCHEMBL3700761 0.81 AKR1B1 (0.40) TDP2PDK2AKR1A1AKR1B1CA1
SCHEMBL30643150 0.81 TDP2 (0.41) TDP2S100A4METAP1AKR1A1AKR1B1
SCHEMBL30768953 0.79 PBRM1 (0.49) PDK2CA1CA2CA7CA9
SCHEMBL3893981 0.79 MALT1 (0.41) TDP2S100A4METAP1CA1CA2
SCHEMBL30768989 0.76 KDM4E (0.48) PDK2METAP1CA1CA2CA4
SCHEMBL22289184 0.74 CYP2A6 (0.39) S100A4PDK2
SCHEMBL12077300 0.71 TDP2 (0.42) TDP2S100A4METAP1AKR1A1AKR1B1

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 TDP2 1161/4885S100A4 2683/4885PDK2 424/4885

“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.