SCHEMBL21184556

SCHEMBL21184556

COCCN[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2cn(COCC[Si](C)(C)C)c3cc(C#N)ccc23)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.47
▸ CCNH P51946 15/20 0.47
▸ MNAT1 P51948 14/20 0.47
▸ CCNT1 O60563 8/20 0.46
▸ CDK9 P50750 8/20 0.46
▸ CCNK O75909 11/20 0.42
▸ CDK12 Q9NYV4 11/20 0.42
▸ CCNE1 P24864 6/20 0.42
▸ CDK2 P24941 6/20 0.42
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CDK6 Q00534 1/20 0.39

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
SCHEMBL24176320 0.93 CDK7 (0.45) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184597 0.90 CDK7 (0.45) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184416 0.90 CDK7 (0.49) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24176265 0.90 CDK7 (0.45) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184593 0.89 CDK7 (0.53) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24176230 0.89 CDK7 (0.44) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24176261 0.88 CDK7 (0.44) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184406 0.88 CDK7 (0.53) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL24176247 0.87 CDK7 (0.45) CDK7CCNHMNAT1CCNT1CDK9
SCHEMBL21184417 0.87 CCNK (0.46) CDK7CCNHMNAT1CCNT1CDK9

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-20220000890-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) MEDIC LIFE SCIENCES, INC. 2022-01-06 — — US disclosed
WO-2019143730-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 (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-20220000890-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CDK7 1/4885CCNH 24/4885MNAT1 114/4885

“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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