SCHEMBL17150567

SCHEMBL17150567

CCc1cnc(N[C@@H]2CCC[C@](C)(N)C2)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 12/20 0.48
▸ DRD2 P14416 5/20 0.48
▸ HTR2A P28223 4/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ CCNT1 O60563 5/20 0.41
▸ CDK9 P50750 5/20 0.41
▸ CDK7 P50613 5/20 0.41
▸ CCNH P51946 5/20 0.41
▸ MNAT1 P51948 5/20 0.41
▸ CCNK O75909 4/20 0.41
▸ CCNE1 P24864 4/20 0.41
▸ CDK2 P24941 4/20 0.41
▸ CDK12 Q9NYV4 4/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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
SCHEMBL17688395 0.91 CDK7 (0.51) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL19024518 0.91 CDK7 (0.51) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL17150473 0.91 CDK7 (0.51) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL20536159 0.91 CDK7 (0.51) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL19040162 0.87 CCNT1 (0.53) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17150718 0.85 HTR6 (0.50) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL17150598 0.85 HTR6 (0.40) HTR6CCNT1CDK9CDK7CCNH
SCHEMBL21027469 0.83 CCNT1 (0.52) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL17150411 0.79 CDK7 (0.51) HTR6DRD2HTR2AHTR7CCNT1
SCHEMBL19040168 0.78 CDK2 (0.42) CCNT1CDK9CDK7CCNHMNAT1

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
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 — — EP disclosed
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 — — US disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 — — US disclosed
EP-3126352-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2018-10-17 — — EP disclosed
US-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-08-28 — — US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-07-26 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
WO-2015154038-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — 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-10059690-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885DRD2 4779/4885HTR2A 4588/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885DRD2 4779/4885HTR2A 4588/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885DRD2 4779/4885HTR2A 4588/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885DRD2 4779/4885HTR2A 4588/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885DRD2 4779/4885HTR2A 4588/4885

“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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