SCHEMBL16655220

SCHEMBL16655220

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
MAPK8 P45983 13/20 0.49
MAPK9 P45984 13/20 0.49
CDK2 P24941 12/20 0.49
JUN P05412 12/20 0.49
MAPK10 P53779 9/20 0.49
BCHE P06276 1/20 0.46
USP30 Q70CQ3 1/20 0.45
CCNT1 O60563 2/20 0.45
CDK7 P50613 2/20 0.45
CDK9 P50750 2/20 0.45
CCNH P51946 2/20 0.45
MNAT1 P51948 2/20 0.45
CCNE1 P24864 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
SCHEMBL16655219 1.00 HTR6 (0.54) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL16655422 1.00 HTR6 (0.54) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL16655048 0.96 HTR6 (0.53) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL29613414 0.96 HTR6 (0.53) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL16655047 0.96 HTR6 (0.53) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL16655095 0.95 HTR6 (0.55) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL17150701 0.92 CDK2 (0.49) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL25330584 0.91 MAPK8 (0.47) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL25330586 0.91 MAPK8 (0.47) HTR6MAPK8MAPK9CDK2JUN
SCHEMBL16655006 0.89 CDK12 (0.52) HTR6MAPK8MAPK9CDK2JUN

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2019-09-26 US disclosed
EP-3489232-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2019-05-29 EP disclosed
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
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-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
EP-3126352-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2017-02-08 EP disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES SYROS PHARMACEUTICALS INC (US) 2016-09-15 US disclosed
EP-3057954-A2 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Syros Pharmaceuticals, Inc. (US) 2016-08-24 EP disclosed
WO-2015154039-A2 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
WO-2015058163-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-04-23 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 (7 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 3416/4885MAPK8 193/4885MAPK9 142/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885MAPK8 193/4885MAPK9 142/4885
US-20190292167-A1 HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK7, CDK3, CDK17 HTR6 2975/4885MAPK8 352/4885MAPK9 506/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885MAPK8 193/4885MAPK9 142/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885MAPK8 193/4885MAPK9 142/4885
US-20160264552-A1 HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES CDK7, CDK6, CDK3 HTR6 3045/4885MAPK8 532/4885MAPK9 599/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885MAPK8 193/4885MAPK9 142/4885

“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.