SCHEMBL21178337

SCHEMBL21178337

Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4C[C@@H](O)CN(Cc5ccccc5)C4)ncc3C(F)(F)F)cn(S(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 9/20 0.44
CCNH P51946 9/20 0.44
CCNE1 P24864 8/20 0.44
CDK2 P24941 8/20 0.44
CCNK O75909 8/20 0.44
CDK12 Q9NYV4 8/20 0.44
CCNT1 O60563 7/20 0.44
CDK9 P50750 7/20 0.44
BRD4 O60885 6/20 0.36
MNAT1 P51948 6/20 0.35

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
SCHEMBL21178787 0.90 CCNK (0.37) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21178393 0.89 CDK7 (0.53) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL29509187 0.87 CCNK (0.43) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21184433 0.86 CDK7 (0.55) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21184338 0.86 CDK7 (0.55) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL24176480 0.86 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21179217 0.86 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL21179042 0.86 CDK7 (0.47) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL24176336 0.86 CDK7 (0.46) CDK7CCNHCCNE1CDK2CCNK
SCHEMBL30771937 0.86 CDK7 (0.46) CDK7CCNHCCNE1CDK2CCNK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2021-12-09 US disclosed
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 EP disclosed
WO-2019143719-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 (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-11311542-B2 Inhibitors of cyclin dependent kinase 7 (CDK7) CDK7, CDK3, CCNK CDK7 1/4885CCNH 24/4885CCNE1 48/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CDK7 1/4885CCNH 24/4885CCNE1 48/4885

“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.