SCHEMBL21408866

SCHEMBL21408866

COc1ccc(C(=O)N2CCC3(CCNCC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 3/20 0.51
▸ GABRA1 P14867 3/20 0.51
▸ GABRB1 P18505 3/20 0.51
▸ GABRA5 P31644 3/20 0.51
▸ GABRA3 P34903 3/20 0.51
▸ GABRA2 P47869 3/20 0.51
▸ GABRB2 P47870 3/20 0.51
▸ GABRA4 P48169 3/20 0.51
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ MLKL Q8NB16 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL30267496 1.00 GABRD (0.51) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21409353 0.92 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL31138071 0.91 NR3C1 (0.41) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL21408934 0.91 KCNH2 (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL25596253 0.91 NR3C1 (0.44) GABRDGABRA1GABRB1GABRA5GABRA3
SCHEMBL25904549 0.91 NR3C1 (0.44) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL24735010 0.91 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL29841507 0.91 NR3C1 (0.47) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL26949210 0.90 GABRD (0.49) GABRDGABRA1GABRB1GABRA5GABRA3
Hydrochloric Acid SCHEMBL29841613 0.90 NR3C1 (0.46) NR3C1PGRSLC6A4KCNH2PDE3B

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754858-A N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-10-11 — — CN disclosed
CN-117964623-A Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-05-03 — — CN disclosed
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
CN-111936498-B N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) benzamide derivatives 诺华股份有限公司 2024-04-16 — — CN disclosed
CN-115244053-B Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-01-30 — — CN disclosed
US-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2023-12-14 — — US disclosed
CN-117186108-A Bruton's tyrosine kinase degradation agent 诺华股份有限公司 2023-12-08 — — CN disclosed
CN-111936501-B Bruton's tyrosine kinase degradation agent 诺华股份有限公司 2023-09-22 — — CN disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 — — US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 — — US disclosed
EP-4031247-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-07-27 — — EP disclosed
CN-114521196-A Bifunctional group degradation agent and use method thereof 诺华股份有限公司 2022-05-20 — — CN disclosed
US-20210251996-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2021-08-19 — — US disclosed
WO-2021053495-A1 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 — — WO disclosed
EP-3774804-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 — — EP disclosed
EP-3774808-A1 3-HYDROXY-N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE DERIVATIVES Novartis AG (CH) 2021-02-17 — — EP disclosed
US-20210002285-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives NOVARTIS PHARMA AG (CH) 2021-01-07 — — US disclosed
CN-111936501-A 3-hydroxy-N- (3- (7H-pyrrolo [2,3-d ] pyrimidin-4-yl) phenyl) pyrrolidine-1-carboxamide derivatives 诺华股份有限公司 2020-11-13 — — CN disclosed
WO-2019186358-A1 3-HYDROXY-N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 — — WO disclosed
WO-2019186343-A1 N-(3-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PHENYL)BENZAMIDE DERIVATIVES NOVARTIS AG (CH) 2019-10-03 — — 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 (4 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 GABRD 3732/4885GABRA1 3511/4885GABRB1 3636/4885
US-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN GABRD 2413/4885GABRA1 2007/4885GABRB1 2343/4885
US-20210251996-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN GABRD 2413/4885GABRA1 2007/4885GABRB1 2343/4885
US-20210002285-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives PAH, PARK7, PKD1 GABRD 1235/4885GABRA1 883/4885GABRB1 923/4885

“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.

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