SCHEMBL26323306

SCHEMBL26323306

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(Br)c(C(=O)O)ccc34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.49
▸ CDK12 Q9NYV4 18/20 0.49
▸ CDK2 P24941 14/20 0.49
▸ CCNE1 P24864 13/20 0.49
▸ CCNT1 O60563 13/20 0.49
▸ CDK9 P50750 13/20 0.49
▸ CDK7 P50613 8/20 0.49
▸ CCNH P51946 8/20 0.49
▸ MNAT1 P51948 7/20 0.49
▸ CCNA2 P20248 1/20 0.46
▸ CDK13 Q14004 1/20 0.46

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
SCHEMBL25596414 1.00 CCNK (0.49) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25597107 0.92 CCNK (0.49) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL30260897 0.92 CCNK (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL24588150 0.89 CCNK (0.55) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594676 0.89 CDK7 (0.48) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594065 0.89 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25596475 0.89 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25594406 0.89 CDK7 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29492509 0.88 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL27121866 0.88 CCNK (0.63) CCNKCDK12CDK2CCNE1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 — — US disclosed
US-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK MEDICINES, INC. (CN) 2023-09-21 — — 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 (1 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-20230295130-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF CDK7, CDK6, CDK9 CCNK 15/4885CDK12 27/4885CDK2 8/4885

“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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