SCHEMBL22076259

SCHEMBL22076259

C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(P(C)(C)=O)c(C#N)ccc34)n2)CN1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 13/20 0.67
▸ CDK12 Q9NYV4 13/20 0.67
▸ CDK7 P50613 13/20 0.67
▸ CCNH P51946 13/20 0.67
▸ CCNT1 O60563 12/20 0.67
▸ CCNE1 P24864 12/20 0.67
▸ CDK2 P24941 12/20 0.67
▸ CDK9 P50750 12/20 0.67
▸ MNAT1 P51948 10/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ MAP2K5 Q13163 1/20 0.45

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
SCHEMBL29584307 0.90 CCNK (0.60) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL22076291 0.90 CCNK (0.60) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL22076297 0.90 CCNK (0.54) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817255 0.89 CCNK (0.69) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817264 0.89 CCNK (0.69) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817289 0.87 CCNK (0.66) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817285 0.87 CCNK (0.66) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL29498435 0.86 CCNK (0.69) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL21184374 0.85 CCNK (0.78) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL29498458 0.85 CCNK (0.69) CCNKCDK12CDK7CCNHCCNT1

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-20240034742-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS MEDIC LIFE SCIENCES, INC. 2024-02-01 — — US disclosed
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2020-06-18 — — 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-20240034742-A1 DOSING REGIMENS FOR CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CCNI, CDK17 CCNK 4/4885CDK12 27/4885CDK7 1/4885
US-20200190126-A1 Inhibitors of Cyclin-Dependent Kinase 7 (CDK7) CDK7, CDK1, CDK17 CCNK 8/4885CDK12 30/4885CDK7 1/4885

“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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