SCHEMBL17696352

SCHEMBL17696352

N[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)c(-c3n[nH]c4ccccc34)n2)C1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.73
▸ CDK12 Q9NYV4 18/20 0.73
▸ CCNT1 O60563 16/20 0.73
▸ CDK9 P50750 16/20 0.73
▸ CCNE1 P24864 15/20 0.73
▸ CDK2 P24941 15/20 0.73
▸ CDK7 P50613 10/20 0.55
▸ CCNH P51946 10/20 0.55
▸ MNAT1 P51948 9/20 0.55
▸ ULK1 O75385 1/20 0.44

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
SCHEMBL25602841 0.88 CCNK (0.72) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL19600368 0.85 CCNK (0.58) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL16665129 0.85 CDK7 (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL18069827 0.85 CDK7 (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839344 0.85 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17150448 0.84 CCNK (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17696323 0.82 CCNK (0.69) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25602843 0.81 CCNK (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30456603 0.78 CCNK (0.69) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL17688405 0.76 CCNT1 (0.44) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 — — US disclosed
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 — — US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — US disclosed
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-06-04 — — US disclosed
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-06-04 — — US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US disclosed
WO-2016058544-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2016-04-21 — — 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 (5 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-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNT1 33/4885
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNT1 33/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNT1 33/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNT1 33/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CCNK 6/4885CDK12 28/4885CCNT1 33/4885

“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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