SCHEMBL21706202

SCHEMBL21706202

Cc1cc2c(cc1-n1cc(C3CC3)nc1S)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.35
CLK4 Q9HAZ1 3/20 0.33
DYRK1B Q9Y463 2/20 0.33
FYN P06241 1/20 0.33
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
MKNK2 Q9HBH9 3/20 0.32
HTR1A P08908 5/20 0.32
DRD2 P14416 5/20 0.32
HTR2A P28223 5/20 0.32
SLC6A4 P31645 5/20 0.32
MAPK1 P28482 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TYRO3 Q06418 1/20 0.31
NTRK2 Q16620 1/20 0.31

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
SCHEMBL21705962 0.81 MAP3K5 (0.47) MAP3K5
SCHEMBL20489212 0.74 MAP3K5 (0.49) MAP3K5PARP1PARP10
SCHEMBL29978642 0.74 MAP3K5 (0.49) MAP3K5PARP1PARP10
SCHEMBL29977623 0.68 RORC (0.37) MAP3K5
SCHEMBL22473936 0.68 PARP10 (0.50) MAPK1PARP1PARP10
SCHEMBL28380967 0.68 PDE4D (0.30)
SCHEMBL28614404 0.68 PDE4D (0.30)
SCHEMBL31195434 0.66 HTT (0.52) CLK4DYRK1BFYNDAPK3NTRK1
SCHEMBL10139776 0.66 HTT (0.52) CLK4DYRK1BFYNDAPK3NTRK1
SCHEMBL28383965 0.66

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
CN-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-111107848-B Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2023-05-23 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed
CN-109983007-B Amide derivative inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2021-11-05 CN disclosed
US-11136324-B2 Substituted imidazoles as apoptosis signal regulating kinase 1 inhibitors JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-10-05 US disclosed
US-20210032249-A1 AMIDE DERIVATIVE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-04 US disclosed
CN-111107848-A Pharmaceutical composition containing amide derivatives, and preparation method and application thereof 江苏豪森药业集团有限公司 2020-05-05 CN disclosed
CN-111094250-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2020-05-01 CN disclosed
WO-2020030107-A1 PHARMACEUTICAL COMPOSITION CONTAINING AMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2020-02-13 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 (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-20210032249-A1 AMIDE DERIVATIVE INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF AADAC, CHUK, TFPI MAP3K5 26/4885CLK4 1757/4885DYRK1B 2239/4885
US-11136324-B2 Substituted imidazoles as apoptosis signal regulating kinase 1 inhibitors AIFM1, IRAK1, CASP1 MAP3K5 14/4885CLK4 840/4885DYRK1B 972/4885

“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.