SCHEMBL26327191

SCHEMBL26327191

COC(=O)N[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)C1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.68
▸ CDK12 Q9NYV4 15/20 0.68
▸ CCNT1 O60563 13/20 0.68
▸ CCNE1 P24864 13/20 0.68
▸ CDK2 P24941 13/20 0.68
▸ CDK9 P50750 13/20 0.68
▸ CDK7 P50613 13/20 0.68
▸ CCNH P51946 13/20 0.68
▸ MNAT1 P51948 9/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ MAP2K5 Q13163 1/20 0.47

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
SCHEMBL29498458 0.94 CCNK (0.69) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29850286 0.90 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817405 0.90 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817406 0.90 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29850496 0.90 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24589005 0.89 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184374 0.89 CCNK (0.78) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588868 0.89 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29492506 0.89 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588867 0.89 CCNK (0.71) 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 1 patent. 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

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 27/4885CCNT1 42/4885

“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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