SCHEMBL23529883

SCHEMBL23529883

Cc1nc(NC2CCN(C(=O)O[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n2ncc(C(C)C)c2n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.54
CDK4 P11802 1/20 0.54
CDK7 P50613 1/20 0.54
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CD O00329 10/20 0.41
CNR1 P21554 1/20 0.39
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ADORA2A P29274 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL23547485 0.94 ALDH1A1 (0.52) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL23547346 0.92 CDK9 (0.51) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL23547379 0.90 CDK9 (0.49) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL23547459 0.90 CDK9 (0.49) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL20971691 0.86 CDK4 (0.71) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL20971697 0.86 CDK4 (0.71) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL20971698 0.86 CDK4 (0.71) CDK9CDK4CDK7ALDH1A1NPC1
SCHEMBL23547349 0.86 CDK9 (0.54) CDK9CDK4CDK7CDK2
SCHEMBL23547361 0.86 CDK9 (0.54) CDK9CDK4CDK7CDK2
SCHEMBL23547336 0.85 CDK9 (0.52) CDK9CDK4CDK7ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113004285-B Heterocyclic compound, pharmaceutical composition, preparation method, intermediate and application thereof 苏州信诺维医药科技股份有限公司 2024-05-14 CN disclosed
US-20230115907-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF EVOPOINT BIOSICENCES CO., LTD. (CN) 2023-04-13 US disclosed
EP-4079733-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF Evopoint Biosciences Co., Ltd. (CN) 2022-10-26 EP disclosed
WO-2021121390-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2021-06-24 WO disclosed
WO-2021121390-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2021-06-24 WO disclosed
CN-113004285-A Heterocyclic compound and pharmaceutical composition, preparation method, intermediate and application thereof 苏州信诺维医药科技股份有限公司 2021-06-22 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 (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-20230115907-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF CDK7, CDK17, CDK8 CDK9 4/4885CDK4 5/4885CDK7 1/4885

“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.