SCHEMBL22972503

SCHEMBL22972503

Cc1ccc2[nH]c(=O)n(C)c2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.49
PDE3A Q14432 3/20 0.49
LMNA P02545 2/20 0.44
DAO P14920 4/20 0.43
ADORA3 P0DMS8 2/20 0.42
ADORA2B P29275 2/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
DPP4 P27487 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
PGR P06401 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
STING1 Q86WV6 1/20 0.36
MAOB P27338 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
SCHEMBL21050770 0.81 PDE3B (0.43) PDE3BPDE3ALMNADAOADORA3
SCHEMBL29751529 0.81 CSNK2A2 (0.46) PDE3BPDE3ALMNADAOADORA3
SCHEMBL24607337 0.81 CSNK2A2 (0.46) PDE3BPDE3ALMNADAOADORA3
SCHEMBL16883537 0.81 DAO (0.49) PDE3BPDE3ALMNADAOADORA3
SCHEMBL24854272 0.79 LMNA (0.40) PDE3BPDE3ALMNADAOADORA3
SCHEMBL24854116 0.79 LMNA (0.40) PDE3BPDE3ALMNADAOADORA3
SCHEMBL13015482 0.79 PDE3B (0.40) PDE3BPDE3ALMNADAOADORA3
SCHEMBL13015480 0.77 DAO (0.66) PDE3BPDE3ALMNADAOADORA3
SCHEMBL2969357 0.77 POLB (0.49) PDE3BPDE3ADAOPGRMAOB
SCHEMBL16883536 0.72 DAO (0.64) PDE3BPDE3ALMNADAOADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 EP disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 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 (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-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 PDE3B 2502/4885PDE3A 2605/4885LMNA 3223/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 PDE3B 2502/4885PDE3A 2605/4885LMNA 3223/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS PDE3B 4386/4885PDE3A 4162/4885LMNA 3930/4885

“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.