SCHEMBL25003063

SCHEMBL25003063

O=C1c2cccc(Br)c2CC1(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.44
PIM1 P11309 1/20 0.44
CSNK1A1 P48729 1/20 0.44
ROCK1 Q13464 1/20 0.44
DYRK1A Q13627 1/20 0.44
LRRK2 Q5S007 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PARP10 Q53GL7 1/20 0.42
PARP11 Q9NR21 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL29237779 0.82 CDK5 (0.42) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL29237856 0.78 PIM1 (0.39) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL29237858 0.78 PIM1 (0.39) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL25002993 0.78 ALDH1A1 (0.45) CDK5PARP10PARP11CA1CA2
SCHEMBL22989994 0.78 CDK5 (0.44) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL14938952 0.73 CDK5 (0.40) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL28502513 0.73 PARP10 (0.45) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL38659818 0.72 HTR2A (0.36) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL4317715 0.70 PARP10 (0.50) CDK5PIM1CSNK1A1ROCK1DYRK1A
SCHEMBL16290355 0.70 CA1 (0.41) CDK5PIM1CSNK1A1ROCK1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHUJING BIOPHARMA CO., LTD (CN) 2024-11-07 US disclosed
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
CN-117769545-A Tri-fused ring derivative-containing regulator, preparation method and application thereof 上海枢境生物科技有限公司 2024-03-26 CN disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 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-20240368115-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TPH1, TPH2, GAP43 CDK5 271/4885PIM1 4605/4885CSNK1A1 1572/4885

“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.