SCHEMBL21178787

SCHEMBL21178787

Cc1nocc1-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 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNK O75909 11/20 0.37
CDK12 Q9NYV4 11/20 0.37
CCNE1 P24864 11/20 0.37
CDK2 P24941 11/20 0.37
CCNT1 O60563 10/20 0.37
CDK9 P50750 10/20 0.37
CDK7 P50613 12/20 0.36
CCNH P51946 12/20 0.36
MNAT1 P51948 10/20 0.36
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33

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
SCHEMBL21178337 0.90 CDK7 (0.44) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179249 0.88 CCNK (0.49) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509214 0.87 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178915 0.82 CDK7 (0.38) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178696 0.82 CDK7 (0.38) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29872781 0.82 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509178 0.82 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178695 0.82 CDK7 (0.36) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178393 0.78 CDK7 (0.53) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178259 0.77 HTR6 (0.34) CDK7CCNHMNAT1

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 CCNK 3/4885CDK12 27/4885CCNE1 48/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CCNK 3/4885CDK12 27/4885CCNE1 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.