SCHEMBL20583121

SCHEMBL20583121

C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccncc4)s3)C2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 15/20 0.87
▸ CDK7 P50613 13/20 0.79
▸ CDK2 P24941 18/20 0.72
▸ CCNT1 O60563 6/20 0.72
▸ CCNH P51946 6/20 0.72
▸ MNAT1 P51948 6/20 0.72
▸ CCNA1 P78396 6/20 0.72
▸ CCNK O75909 1/20 0.72
▸ CDK14 O94921 1/20 0.72
▸ CDK1 P06493 1/20 0.72
▸ CCNB1 P14635 1/20 0.72
▸ CCNC P24863 1/20 0.72
▸ CCNE1 P24864 1/20 0.72
▸ CDK8 P49336 1/20 0.72
▸ CDK3 Q00526 1/20 0.72
▸ CDK5 Q00535 1/20 0.72
▸ CDK16 Q00536 1/20 0.72
▸ CDK13 Q14004 1/20 0.72
▸ CDK5R1 Q15078 1/20 0.72
▸ CCNY Q8ND76 1/20 0.72

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
SCHEMBL20583125 1.00 CDK9 (0.87) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583216 0.93 CDK9 (1.00) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583219 0.93 CDK9 (1.00) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583131 0.92 CDK9 (0.86) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583133 0.92 CDK9 (0.86) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583090 0.89 CDK9 (0.81) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583094 0.89 CDK9 (0.81) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL22055545 0.88 CDK7 (1.00) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL22055743 0.88 CDK7 (1.00) CDK9CDK7CDK2CCNT1CCNH
SCHEMBL20583234 0.86 CDK9 (0.65) CDK9CDK7CDK2CCNT1CCNH

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 10 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
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 CDK9 22/4885CDK7 9/4885CDK2 5/4885
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK9 22/4885CDK7 9/4885CDK2 5/4885
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK9 22/4885CDK7 9/4885CDK2 5/4885
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 CDK9 22/4885CDK7 9/4885CDK2 5/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 CDK9 5/4885CDK7 1/4885CDK2 17/4885

“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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