SCHEMBL25591997

SCHEMBL25591997

COC(=O)Nc1ccc2c(-c3nc(N[C@H]4CCC(C)(C)NC4)ncc3C(F)(F)F)c[nH]c2c1C1CCOC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.56
▸ CDK12 Q9NYV4 18/20 0.56
▸ CCNE1 P24864 15/20 0.56
▸ CDK2 P24941 15/20 0.56
▸ CCNT1 O60563 15/20 0.56
▸ CDK9 P50750 15/20 0.56
▸ CDK7 P50613 12/20 0.56
▸ CCNH P51946 12/20 0.56
▸ MNAT1 P51948 7/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL25591998 0.95 CCNK (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25594838 0.93 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25594834 0.93 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25594867 0.90 CCNK (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25592234 0.90 CCNK (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25594756 0.88 CCNT1 (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25592233 0.88 CCNK (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25594853 0.88 CCNK (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25595553 0.87 CCNK (0.62) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25595555 0.87 CCNK (0.62) CCNKCDK12CCNE1CDK2CCNT1

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
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 — — EP 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 27/4885CCNE1 45/4885

“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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