SCHEMBL17696323

SCHEMBL17696323

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

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.69
▸ CDK12 Q9NYV4 17/20 0.69
▸ CCNT1 O60563 15/20 0.69
▸ CCNE1 P24864 15/20 0.69
▸ CDK2 P24941 15/20 0.69
▸ CDK9 P50750 15/20 0.69
▸ CDK7 P50613 12/20 0.52
▸ CCNH P51946 12/20 0.52
▸ MNAT1 P51948 10/20 0.52

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
SCHEMBL25602843 0.89 CCNK (0.68) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL19605655 0.88 CCNT1 (0.55) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL19600373 0.87 CDK7 (0.55) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL19600380 0.86 CCNK (0.52) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL17150616 0.85 CDK7 (0.70) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL17696352 0.82 CCNK (0.73) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839344 0.82 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25602841 0.81 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL17688397 0.80 CCNK (0.54) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL17688422 0.80 CCNK (0.54) CCNKCDK12CCNT1CCNE1CDK2

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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