SCHEMBL4928378

SCHEMBL4928378

CC(C)(C)OC(=O)N1CCOc2ccc(Br)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.38
CSNK2A2 P19784 1/20 0.38
USP30 Q70CQ3 2/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 0.38
FGFR4 P22455 2/20 0.38
GRM5 P41594 2/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCD5 Q86SK9 1/20 0.35
NOTUM Q6P988 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM1A O60341 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
SCHEMBL30007388 1.00 CSNK2A1 (0.38) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL26097719 0.88 GRM5 (0.36) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL2492487 0.86 FGFR4 (0.40) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL12405455 0.85 CSNK2A1 (0.40) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL30918942 0.84 CSNK2A1 (0.37) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL23530252 0.83 CSNK2A1 (0.37) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL30918950 0.83 FGFR4 (0.55) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL30895915 0.82 FGFR4 (0.44) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL23554288 0.82 CSNK2A1 (0.43) CSNK2A1CSNK2A2USP30EGFRBTK
SCHEMBL4207156 0.81 CSNK2A1 (0.38) CSNK2A1CSNK2A2USP30EGFRBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117917406-A Heterocyclic compounds, process for their preparation and their use 四川科伦博泰生物医药股份有限公司 2024-04-23 CN disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US 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 (2 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B CSNK2A1 354/4885CSNK2A2 393/4885USP30 2333/4885
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 CSNK2A1 2381/4885CSNK2A2 2657/4885USP30 4580/4885

“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.