SCHEMBL26327182

SCHEMBL26327182

CC1(C)CC[C@@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)C[C@H]1N

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.79
▸ CCNH P51946 15/20 0.79
▸ CCNK O75909 13/20 0.79
▸ CDK12 Q9NYV4 13/20 0.79
▸ MNAT1 P51948 11/20 0.79
▸ CCNT1 O60563 10/20 0.79
▸ CCNE1 P24864 10/20 0.79
▸ CDK2 P24941 10/20 0.79
▸ CDK9 P50750 10/20 0.79
▸ CYP2D6 P10635 1/20 0.79
▸ MAP2K5 Q13163 1/20 0.49

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
SCHEMBL24588122 1.00 CDK7 (0.79) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL24588870 1.00 CDK7 (0.79) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL24588258 0.90 CDK7 (0.73) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL24588868 0.89 CCNK (0.71) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL24588867 0.89 CCNK (0.71) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL29492506 0.89 CCNK (0.71) CDK7CCNHCCNKCDK12MNAT1
Sy-5609 SCHEMBL29855824 0.88 CDK7 (1.00) CDK7CCNHCCNKCDK12MNAT1
Sy-5609 SCHEMBL22076284 0.88 CDK7 (1.00) CDK7CCNHCCNKCDK12MNAT1
Sy-5609 SCHEMBL22076285 0.88 CDK7 (1.00) CDK7CCNHCCNKCDK12MNAT1
SCHEMBL21184374 0.88 CCNK (0.78) CDK7CCNHCCNKCDK12MNAT1

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 CDK7 1/4885CCNH 34/4885CCNK 15/4885

“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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