SCHEMBL20583169

SCHEMBL20583169

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2ncc(C#N)s2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ USP30 Q70CQ3 3/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ GLS O94925 2/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ KDR P35968 1/20 0.41

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
SCHEMBL20582952 0.82 CDK2 (0.44) USP30PARP1GLSBTKCDK2
SCHEMBL20582953 0.82 CDK2 (0.44) USP30PARP1GLSBTKCDK2
SCHEMBL31006833 0.81 CCNK (0.47) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL1514139 0.79 CCNA2 (0.46) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL1120230 0.79 CYP3A4 (0.52) USP30PIK3CDGPR119
SCHEMBL889083 0.78 USP30 (0.50) ALDH1A1MAPTUSP30PIK3CDBTK
SCHEMBL30089181 0.78 GPR119 (0.52) MEN1ALDH1A1MAPTKMT2AUSP30
SCHEMBL23897534 0.77 CDK2 (0.68) CDK2CDK7CDK9
SCHEMBL23897532 0.77 CDK9 (0.60) CDK2CDK7CDK9
SCHEMBL4354913 0.77 PIK3CD (0.49) MEN1ALDH1A1MAPTKMT2AUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (4 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 MEN1 509/4885ALDH1A1 4825/4885MAPT 455/4885
US-20200172499-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 MEN1 509/4885ALDH1A1 4825/4885MAPT 455/4885
US-20180362483-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 MEN1 509/4885ALDH1A1 4825/4885MAPT 455/4885
US-20220055998-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK1, CDK13, CDK3 MEN1 509/4885ALDH1A1 4825/4885MAPT 455/4885

“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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