SCHEMBL20549679

SCHEMBL20549679

CC(C)n1cnc2c(Nc3cccc(N)c3)nc(F)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 7/20 0.58
CDK5 Q00535 9/20 0.57
CDK5R1 Q15078 9/20 0.57
NPC1 O15118 2/20 0.57
CDK2 P24941 4/20 0.55
CCNA2 P20248 3/20 0.55
CCNA1 P78396 3/20 0.55
DYRK1A Q13627 5/20 0.53
CCNB1 P14635 4/20 0.53
CCNB2 O95067 2/20 0.53
CCNB3 Q8WWL7 2/20 0.53
EIF2AK2 P19525 1/20 0.52
GSK3B P49841 1/20 0.52
MERTK Q12866 1/20 0.52
CLK1 P49759 4/20 0.52
CLK2 P49760 4/20 0.52
CLK4 Q9HAZ1 4/20 0.52
CDK4 P11802 2/20 0.52
CCND3 P30281 1/20 0.52
KDM4E B2RXH2 3/20 0.50

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
SCHEMBL5749121 0.87 CDK1 (0.70) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL22388789 0.87 CDK1 (0.59) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL20549706 0.86 CDK5 (0.73) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL4497263 0.81 CDK2 (0.73) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL25737311 0.79 CDK1 (0.71) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL5839477 0.78 CDK5 (0.72) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL6574922 0.78 CDK1 (0.71) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL1325062 0.76 CDK5 (0.70) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL4478416 0.76 CDK2 (0.74) CDK1CDK5CDK5R1NPC1CDK2
SCHEMBL18113885 0.76 CDK5 (0.47) CDK1CDK5CDK5R1NPC1CDK2

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 3/4885CDK5 18/4885CDK5R1 51/4885
US-20220242865-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-20200277292-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-10550121-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-20180319801-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-12098154-B2 Inhibitors of cyclin-dependent kinases CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-20190315747-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CDK1 3/4885CDK5 18/4885CDK5R1 51/4885

“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.