SCHEMBL20692441

SCHEMBL20692441

CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 20/20 1.00
▸ CDK7 P50613 8/20 1.00
▸ CDK2 P24941 6/20 1.00
▸ CDK13 Q14004 2/20 1.00
▸ CDK12 Q9NYV4 2/20 1.00
▸ CCNT1 O60563 19/20 0.88
▸ CCNH P51946 7/20 0.88
▸ CDK4 P11802 8/20 0.75
▸ CCND1 P24385 8/20 0.75
▸ CCNE1 P24864 5/20 0.75
▸ CCNA1 P78396 5/20 0.75
▸ CDK3 Q00526 5/20 0.75
▸ CDK1 P06493 4/20 0.69
▸ CCNA2 P20248 4/20 0.69
▸ CDK6 Q00534 3/20 0.69
▸ CDK5 Q00535 2/20 0.69
▸ CDK5R1 Q15078 2/20 0.69
▸ CCNK O75909 1/20 0.69
▸ CDK14 O94921 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69

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
SCHEMBL21877791 1.00 CDK9 (1.00) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946118 0.94 CDK9 (1.00) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21877636 0.91 CDK9 (0.83) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21877710 0.91 CDK9 (0.83) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946120 0.86 CDK9 (1.00) CDK9CDK7CDK2CDK13CDK12
SCHEMBL26871376 0.85 CDK9 (0.74) CDK9CDK7CDK2CDK13CDK12
SCHEMBL23959016 0.85 CDK9 (0.73) CDK9CDK7CDK2CDK13CDK12
SCHEMBL25477504 0.85 CDK9 (0.74) CDK9CDK7CDK2CDK13CDK12
SCHEMBL24174222 0.84 CDK9 (0.73) CDK9CDK7CDK2CDK13CDK12
SCHEMBL21946121 0.84 CDK9 (0.73) CDK9CDK7CDK2CDK13CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178067-A9 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-02-06 — — WO disclosed
WO-2024178067-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-08-29 — — WO disclosed
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2024-04-25 — — US disclosed
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2023-12-19 — — US disclosed
CN-112996790-B Compounds, compositions and methods for modulating CDK9 activity 克洛诺斯生物公司 2023-11-03 — — CN disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 — — US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 — — US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 — — US disclosed
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 — — US disclosed
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 — — US disclosed
WO-2021216828-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-10-28 — — WO disclosed
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 — — US disclosed
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 — — US disclosed
EP-3873911-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2021-09-08 — — EP disclosed
US-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity IGNOTA LABS LIMITED (GB) 2020-04-30 — — US disclosed
US-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity IGNOTA LABS LIMITED (GB) 2020-04-30 — — US disclosed
WO-2019023654-A9 DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-02-28 — — WO disclosed
WO-2019023654-A2 DISCOVERY OF SMALL MOLECULES THAT TARGET THE ANDROGEN RECEPTOR AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-01-31 — — 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 (6 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-20200131189-A1 Compounds, Compositions, and Methods for Modulating CDK9 Activity CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 8/4885
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 8/4885
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 9/4885
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN CDK9 1/4885CDK7 13/4885CDK2 11/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 8/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 CDK9 1/4885CDK7 3/4885CDK2 9/4885

“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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