SCHEMBL9963259

SCHEMBL9963259

CC(C)N1CCC2(CC1)COC(=O)N2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 17/20 0.37
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
CYP2D6 P10635 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
SCHEMBL27359449 0.82 MGLL (0.39) MGLL
SCHEMBL24268265 0.82 CDK8 (0.35) MGLLCDK8CDK19
SCHEMBL25051770 0.81 MGLL (0.37) MGLL
SCHEMBL9966019 0.80 NEK2 (0.42) MGLLCDK8CDK19
SCHEMBL25037639 0.77 CYP2D6 (0.33) CYP2D6
SCHEMBL12544783 0.77
SCHEMBL23219683 0.76 CDK8 (0.37) MGLLCDK8CDK19
SCHEMBL22053045 0.76 KDM4E (0.37) MGLLCDK8CDK19
SCHEMBL22783779 0.76 MGLL (0.38) MGLLCDK8CDK19
SCHEMBL18925948 0.74 CYP2D6 (0.39) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2023-10-03 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CHEMOCENTRYX, INC. 2023-04-27 US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2023-01-12 US disclosed
WO-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors INCYTE CORPORATION (US) 2021-08-17 US disclosed
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2020-01-30 US disclosed
US-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2019-11-19 US disclosed
US-10472368-B2 Heterocyclic compounds as PI3K-γ inhibitors INCYTE CORPORATION (US) 2019-11-12 US disclosed
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2019-04-25 US disclosed
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2018-01-11 US disclosed
WO-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 WO disclosed
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS INCYTE CORPORATION 2017-05-11 US disclosed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US 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 (14 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-10479795-B2 Substituted imidazo[2,1-f][1,2,4]triazines, substituted imidazo[1,2-a]pyridines and substituted imidazo[1,2-b]pyridazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CA MGLL 4659/4885CDK8 871/4885CDK19 689/4885
US-11773102-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 MGLL 3698/4885CDK8 362/4885CDK19 213/4885
US-11091491-B2 Heterocyclic compounds as PI3K-y inhibitors PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885
US-10472368-B2 Heterocyclic compounds as PI3K-γ inhibitors PIK3CD, PIK3CG, PIK3R5 MGLL 3698/4885CDK8 362/4885CDK19 213/4885
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 MGLL 4755/4885CDK8 554/4885CDK19 791/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 MGLL 4354/4885CDK8 1173/4885CDK19 1055/4885
US-20230125684-A1 Aryl Sulfonyl Compounds as CCR6 Inhibitors CCR6, CCR1, CCR3 MGLL 3590/4885CDK8 924/4885CDK19 1433/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 MGLL 4179/4885CDK8 4257/4885CDK19 4116/4885
US-20190119287-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885
US-20200031837-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885
US-20170129899-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885
US-20180009816-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 MGLL 4496/4885CDK8 767/4885CDK19 1562/4885
US-20230009843-A1 HETEROCYCLIC COMPOUNDS AS PI3K-y INHIBITORS PIK3R5, PIK3CA, PIK3CD MGLL 4061/4885CDK8 355/4885CDK19 226/4885

“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.