SCHEMBL21178413

SCHEMBL21178413

CC1(C)C[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4cc(Br)ccc34)n2)CN(Cc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 13/20 0.66
▸ CCNH P51946 13/20 0.66
▸ MNAT1 P51948 11/20 0.66
▸ CCNK O75909 17/20 0.56
▸ CDK12 Q9NYV4 17/20 0.56
▸ CCNT1 O60563 14/20 0.56
▸ CDK9 P50750 14/20 0.56
▸ CCNE1 P24864 13/20 0.56
▸ CDK2 P24941 13/20 0.56

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
SCHEMBL21188044 0.85 CCNK (0.58) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178456 0.85 CDK7 (0.57) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076267 0.84 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29584896 0.84 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076266 0.84 CCNK (0.55) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL21178522 0.81 CDK7 (0.53) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076295 0.79 CDK7 (0.70) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL22076293 0.79 CDK7 (0.70) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL29583380 0.79 CDK7 (0.70) CDK7CCNHMNAT1CCNKCDK12
SCHEMBL24839874 0.79 CDK7 (1.00) CDK7CCNHMNAT1CCNKCDK12

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 24/4885MNAT1 114/4885
US-20210379065-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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