SCHEMBL21188586

SCHEMBL21188586

O[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(-c5nccs5)ccc34)n2)C1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.78
▸ CDK12 Q9NYV4 18/20 0.78
▸ CCNT1 O60563 13/20 0.78
▸ CCNE1 P24864 13/20 0.78
▸ CDK2 P24941 13/20 0.78
▸ CDK9 P50750 13/20 0.78
▸ CDK7 P50613 8/20 0.69
▸ CCNH P51946 8/20 0.69
▸ MNAT1 P51948 8/20 0.69

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
SCHEMBL21188312 0.88 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184552 0.86 CCNK (0.86) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188808 0.85 CCNK (0.76) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188326 0.83 CCNK (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21188590 0.83 CCNK (0.75) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839794 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30204555 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30439381 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839876 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21178400 0.81 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2

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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 — — US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 — — US disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO 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-20210379065-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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