SCHEMBL29509168

SCHEMBL29509168

CC(C)(C)OC(=O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3cn(COCC[Si](C)(C)C)c4cc(C#N)ccc34)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 13/20 0.49
▸ CDK12 Q9NYV4 13/20 0.49
▸ CCNT1 O60563 9/20 0.49
▸ CDK9 P50750 9/20 0.49
▸ CCNE1 P24864 9/20 0.49
▸ CDK2 P24941 9/20 0.49
▸ CDK7 P50613 14/20 0.45
▸ CCNH P51946 14/20 0.45
▸ MNAT1 P51948 13/20 0.45
▸ CDK1 P06493 1/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ CCND3 P30281 1/20 0.40
▸ CDK6 Q00534 1/20 0.40

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
SCHEMBL24087388 1.00 CCNK (0.49) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30204169 0.93 CDK2 (0.40) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25600747 0.93 CDK2 (0.40) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30204074 0.92 CDK2 (0.39) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25600726 0.92 CDK2 (0.39) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30203949 0.90 CDK7 (0.42) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25594921 0.90 CDK7 (0.42) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30204091 0.90 CDK2 (0.42) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30204452 0.90 CDK7 (0.42) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30439347 0.90 CDK7 (0.43) CCNKCDK12CCNT1CDK9CCNE1

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-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2022-09-29 — — US disclosed
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 — — 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 (2 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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK CCNK 3/4885CDK12 27/4885CCNT1 35/4885
US-20220305014-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CCNK 3/4885CDK12 27/4885CCNT1 35/4885

“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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