SCHEMBL29444532

SCHEMBL29444532

O=C1Cc2c(Br)cccc2N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.54
CCNB2 O95067 8/20 0.54
CDK1 P06493 8/20 0.54
CCNB1 P14635 8/20 0.54
GSK3B P49841 8/20 0.54
CCNB3 Q8WWL7 8/20 0.54
CDK5R1 Q15078 7/20 0.54
AHR P35869 2/20 0.48
PDK2 Q15119 1/20 0.48
DRD2 P14416 4/20 0.45
DRD4 P21917 3/20 0.45
DRD3 P35462 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL19938 1.00 CDK5 (0.54) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL837526 0.82 NPC1 (0.50) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL29732360 0.82 NPC1 (0.50) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL27744292 0.80 KDR (0.50) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL13737408 0.78 CDK5 (0.40) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL18010801 0.77 CDK5 (0.58) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL152281 0.76 CCNB2 (0.54) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL261277 0.76 AHR (0.48) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL12326143 0.76 AHR (0.48) CDK5CCNB2CDK1CCNB1GSK3B
SCHEMBL3340538 0.76 AHR (0.48) CDK5CCNB2CDK1CCNB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235363-A1 CYCLIN-DEPENDENT KINASE 4 DEGRADERS BLUEPRINT MEDICINES CORPORATION (US) 2025-11-13 WO disclosed
US-20250270194-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-08-28 US disclosed
WO-2025151449-A1 BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF PHOTYS THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed
WO-2025106644-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2025-05-22 WO disclosed
US-20250084067-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2025-03-13 US disclosed
EP-4516786-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2025-03-05 EP disclosed
WO-2023250029-A1 BIFUNCTIONAL COMPOUNDS CONTAINING SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CYCLIN-DEPENDENT KINASE 2 VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
CN-117222637-A EGFR degrading agents and related methods of use 百济神州有限公司 2023-12-12 CN disclosed
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS ICHNOS SCIENCES S.A. (CH) 2023-01-12 US disclosed
CN-108884096-B Spiroindolinones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2022-03-22 CN 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 (3 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-20250084067-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CYP51A1, CYP11B2, CYP11B1 CDK5 2127/4885CCNB2 4398/4885CDK1 3054/4885
US-20230009626-A1 INDOLINONE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS MAP4K1, MAP4K2, MAP4K4 CDK5 169/4885CCNB2 917/4885CDK1 120/4885
US-20250270194-A1 PYRAZOLE-SUBSTITUTED CYCLOPENTANOL ESTER DERIVATIVE AND USE THEREOF CYP51A1, CYP11B2, CYP11B1 CDK5 2127/4885CCNB2 4398/4885CDK1 3054/4885

“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.