SCHEMBL18122655

SCHEMBL18122655

C=CC(=O)N[C@H]1CC[C@@H](Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.70
▸ CDK2 P24941 7/20 0.70
▸ CDK7 P50613 4/20 0.70
▸ CDK12 Q9NYV4 3/20 0.70
▸ CCNE1 P24864 3/20 0.70
▸ CCNT1 O60563 2/20 0.70
▸ CCNK O75909 2/20 0.70
▸ CCNH P51946 2/20 0.70
▸ MNAT1 P51948 2/20 0.70
▸ CDK13 Q14004 2/20 0.70
▸ CDK5 Q00535 5/20 0.56
▸ CDK1 P06493 5/20 0.56
▸ GSK3A P49840 2/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ TAOK1 Q7L7X3 2/20 0.56
▸ CCNT2 O60583 1/20 0.56
▸ BRD4 O60885 1/20 0.56
▸ CCNB2 O95067 1/20 0.56
▸ CCNE2 O96020 1/20 0.56
▸ CDK4 P11802 1/20 0.56

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
SCHEMBL20549440 1.00 CDK9 (0.70) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20549444 1.00 CDK9 (0.70) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122648 1.00 CDK9 (0.70) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20549443 0.93 CDK9 (0.67) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122680 0.93 CDK9 (0.67) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20549634 0.87 CDK2 (0.60) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122653 0.87 CDK2 (0.60) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL20549633 0.87 CDK2 (0.60) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18122650 0.87 CDK2 (0.60) CDK9CDK2CDK7CDK12CCNE1
SCHEMBL18313327 0.86 CDK9 (0.64) CDK9CDK2CDK7CDK12CCNE1

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-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US disclosed
EP-3273966-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA FARBER CANCER INST INC (US) 2023-05-03 — — EP disclosed
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
US-11325910-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-10 — — US disclosed
WO-2021133601-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-01 — — WO disclosed
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-03 — — US disclosed
US-10550121-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-04 — — US disclosed
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
WO-2016160617-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 — — 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-11325910-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885
US-10550121-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885
US-20230114207-A1 THE COMBINATION OF CYCLIN DEPENDENT KINASE 7 INHIBITOR AND IMMUNOTHERAPY FOR TREATMENT OF CANCER CDK7, CDC7, CDK8 CDK9 5/4885CDK2 17/4885CDK7 1/4885
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK9 21/4885CDK2 6/4885CDK7 12/4885

“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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