SCHEMBL20583049

SCHEMBL20583049

C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 19/20 1.00
▸ CDK9 P50750 16/20 1.00
▸ CDK7 P50613 14/20 1.00
▸ CCNT1 O60563 10/20 0.92
▸ CCNH P51946 9/20 0.92
▸ MNAT1 P51948 9/20 0.92
▸ CCNA1 P78396 9/20 0.92
▸ CCNK O75909 1/20 0.92
▸ CDK14 O94921 1/20 0.92
▸ CDK1 P06493 1/20 0.92
▸ CCNB1 P14635 1/20 0.92
▸ CCNC P24863 1/20 0.92
▸ CCNE1 P24864 1/20 0.92
▸ CDK8 P49336 1/20 0.92
▸ CDK3 Q00526 1/20 0.92
▸ CDK5 Q00535 1/20 0.92
▸ CDK16 Q00536 1/20 0.92
▸ CDK13 Q14004 1/20 0.92
▸ CDK5R1 Q15078 1/20 0.92
▸ CCNY Q8ND76 1/20 0.92

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
SCHEMBL20583057 1.00 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22055540 0.96 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22055702 0.96 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL20583137 0.96 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL23897524 0.90 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22055598 0.90 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22055740 0.89 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL22056112 0.89 CDK2 (0.87) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL17148348 0.88 CDK2 (0.84) CDK2CDK9CDK7CCNT1CCNH
SCHEMBL25125708 0.88 CDK2 (1.00) CDK2CDK9CDK7CCNT1CCNH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-04-13 — — US disclosed
EP-4019515-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Dana-Farber Cancer Institute, Inc. (US) 2022-06-29 — — EP disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 — — US disclosed
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-24 — — US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 — — US disclosed
US-11142507-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-12 — — US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 — — US disclosed
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-04 — — US disclosed
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-12-20 — — 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 (5 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-11142507-B2 Inhibitors of cyclin-dependent kinases CDK1, CDK13, CDK3 CDK2 5/4885CDK9 22/4885CDK7 9/4885
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK2 5/4885CDK9 22/4885CDK7 9/4885
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK2 5/4885CDK9 22/4885CDK7 9/4885
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK2 5/4885CDK9 22/4885CDK7 9/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 CDK2 17/4885CDK9 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.

Send feedback