SCHEMBL5826323

SCHEMBL5826323

O=C1CC(=O)c2ncccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 17/20 0.57
GSK3B P49841 17/20 0.57
CDK5 Q00535 11/20 0.57
CDK5R1 Q15078 11/20 0.57
KDR P35968 3/20 0.52
CCNB2 O95067 2/20 0.50
CDK1 P06493 2/20 0.50
CCNB1 P14635 2/20 0.50
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CCNA1 P78396 2/20 0.50
CCNB3 Q8WWL7 2/20 0.50
ABL1 P00519 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PIM1 P11309 1/20 0.50
FLT4 P35916 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DYRK1A Q13627 1/20 0.50
PLK1 P53350 1/20 0.47

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
SCHEMBL378942 0.83 GSK3A (0.49) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL659375 0.78 AHR (0.48) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL29550002 0.78 AHR (0.48) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL15668494 0.76 AHR (0.56) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL680301 0.75 GSK3A (0.46) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL379385 0.74 GSK3B (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL12210337 0.74 TDP1 (0.45) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL10963118 0.73 GSK3A (0.49) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL29606493 0.72 CYP1A2 (0.50) GSK3AGSK3BCDK5CDK5R1KDR
SCHEMBL1554278 0.72 CYP1A2 (0.50) GSK3AGSK3BCDK5CDK5R1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
US-11964973-B2 Substituted bicyclic compounds useful as T cell activators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-23 US disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
CN-116670144-A Tricyclic compounds and uses thereof 南京再明医药有限公司 2023-08-29 CN disclosed
US-20230086933-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2023-03-23 US disclosed
EP-4081524-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS Bristol-Myers Squibb Company (US) 2022-11-02 EP disclosed
CN-114901660-A Substituted bicyclic compounds useful as T cell activators 百时美施贵宝公司 2022-08-12 CN disclosed
CN-114846015-A Substituted heteroaryl compounds useful as T cell activators 百时美施贵宝公司 2022-08-02 CN disclosed
WO-2021133750-A1 SUBSTITUTED BICYCLIC PIPERIDINE DERIVATIVES USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
WO-2021133752-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-01 WO disclosed
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY 2021-06-24 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 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-20230086933-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKG, DGKZ GSK3A 548/4885GSK3B 715/4885CDK5 759/4885
US-20210188845-A1 SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKA, DGKZ, DGKK GSK3A 737/4885GSK3B 948/4885CDK5 578/4885
US-11964973-B2 Substituted bicyclic compounds useful as T cell activators DGKA, DGKZ, DGKK GSK3A 737/4885GSK3B 948/4885CDK5 578/4885

“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.