SCHEMBL21178391

SCHEMBL21178391

Fc1cc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 16/20 0.47
▸ CDK12 Q9NYV4 16/20 0.47
▸ CCNT1 O60563 11/20 0.47
▸ CDK9 P50750 11/20 0.47
▸ CCNE1 P24864 10/20 0.47
▸ CDK2 P24941 10/20 0.47
▸ CDK7 P50613 10/20 0.37
▸ CCNH P51946 10/20 0.37
▸ MNAT1 P51948 9/20 0.37
▸ RPS6KA5 O75582 1/20 0.35
▸ TDO2 P48775 1/20 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
SCHEMBL21178668 0.82 CLK1 (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260854 0.82 CLK1 (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24900493 0.81 TDO2 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24900503 0.81 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30957590 0.81 TDO2 (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30957595 0.81 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29699032 0.79 CCNT1 (0.41) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588210 0.79 CCNT1 (0.41) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21629046 0.78 CCNK (0.44) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184587 0.78 CCNK (0.42) CCNKCDK12CCNT1CDK9CCNE1

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 5 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
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 27/4885CCNT1 35/4885
US-20210379065-A1 INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CCNK CCNK 3/4885CDK12 27/4885CCNT1 35/4885

“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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