SCHEMBL20549452

SCHEMBL20549452

CC(C)n1cnc2c(Nc3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc(N3CCCCC3CCO)nc21

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 17/20 0.56
▸ CDK2 P24941 2/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ CDK12 Q9NYV4 1/20 0.47
▸ CDK5 Q00535 3/20 0.45
▸ CCNE2 O96020 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ PRKCA P17252 1/20 0.43

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
SCHEMBL20549430 0.91 CDK1 (0.60) CDK1CDK2CDK9CDK12CDK5
SCHEMBL18113968 0.87 CDK1 (0.56) CDK1CDK2CDK9CDK12CDK5
SCHEMBL18113861 0.84 CDK1 (0.61) CDK1CDK2CDK9CDK12CDK5
SCHEMBL18313119 0.84 CDK1 (0.61) CDK1CDK2CDK9CDK12CDK5
SCHEMBL25736251 0.83 CDK1 (0.48) CDK1CDK5
SCHEMBL20549707 0.83 CDK1 (0.70) CDK1CDK2CDK9CDK12CDK5
SCHEMBL20286070 0.82 CDK1 (0.63) CDK1CDK2CDK9CDK12CDK5
SCHEMBL20286066 0.82 CDK1 (0.63) CDK1CDK2CDK9CDK12CDK5
SCHEMBL21473889 0.81 CDK1 (0.54) CDK1CDK2CDK5CCNE2CCNE1
SCHEMBL18113894 0.81 EGFR (0.46) CDK1CDK5

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
US-RE50776-E1 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2026-02-03 — — US disclosed
US-12098154-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-09-24 — — US disclosed
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
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
EP-3273966-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA FARBER CANCER INST INC (US) 2023-05-03 — — EP disclosed
US-20220242865-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-08-04 — — US disclosed
US-11325910-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-10 — — US disclosed
US-11325910-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-10 — — US disclosed
CN-107427521-B Inhibitors of cyclin dependent kinases 达纳-法伯癌症研究所股份有限公司 2021-08-03 — — CN disclosed
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-09-03 — — US 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-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
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-10-17 — — US disclosed
US-20180319801-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-11-08 — — 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 (8 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 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-20220242865-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-10550121-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-20180319801-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-12098154-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK2 6/4885CDK9 21/4885

“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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