SCHEMBL22895802

SCHEMBL22895802

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(N3CCOCC3)n2)C1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.62
CDK12 Q9NYV4 2/20 0.62
BTK Q06187 2/20 0.53
HRH4 Q9H3N8 4/20 0.47
GPR119 Q8TDV5 4/20 0.46
USP30 Q70CQ3 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PIK3CD O00329 1/20 0.43
MERTK Q12866 1/20 0.42
JAK2 O60674 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK10 P53779 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL23292251 1.00 CCNK (0.62) CCNKCDK12BTKHRH4GPR119
SCHEMBL28545656 0.85 CCNK (0.66) CCNKCDK12HRH4JAK2FLT3
SCHEMBL28545658 0.85 CCNK (0.66) CCNKCDK12HRH4JAK2FLT3
SCHEMBL22895718 0.82 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL28544845 0.82 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL23292284 0.82 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL22895525 0.79 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL23292355 0.79 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL28550665 0.79 CDK12 (0.60) CCNKCDK12BTKGPR119USP30
SCHEMBL5097018 0.79 MAPK10 (0.64) BTKUSP30MAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 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 (3 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-11358958-B2 CDK2, CDK1, CDK6 CCNK 7/4885CDK12 19/4885BTK 852/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 CCNK 2/4885CDK12 22/4885BTK 724/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 CCNK 2/4885CDK12 22/4885BTK 724/4885

“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.