SCHEMBL17150618

SCHEMBL17150618

CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N[C@@]2(C)CCC[C@@H](Nc3ncc(C(F)(F)F)c(-c4c[nH]c5ccccc45)n3)C2)nc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 0.85
▸ CCNH P51946 18/20 0.85
▸ CCNK O75909 17/20 0.85
▸ CDK9 P50750 16/20 0.85
▸ CDK12 Q9NYV4 16/20 0.85
▸ CCNT1 O60563 15/20 0.85
▸ CDK2 P24941 13/20 0.85
▸ MNAT1 P51948 11/20 0.85
▸ CDK13 Q14004 13/20 0.66
▸ CCNA2 P20248 12/20 0.66
▸ RPS6KA3 P51812 1/20 0.56
▸ CDK3 Q00526 1/20 0.55

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
SCHEMBL17150738 0.92 CDK7 (0.90) CDK7CCNHCCNKCDK9CDK12
SCHEMBL29366824 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL17150697 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK12
SCHEMBL20412363 0.92 CDK7 (0.89) CDK7CCNHCCNKCDK9CDK12
SCHEMBL17151820 0.90 CDK7 (0.69) CDK7CCNHCCNKCDK9CDK12
SCHEMBL19055040 0.90 CDK7 (0.68) CDK7CCNHCCNKCDK9CDK12
SCHEMBL17150722 0.88 CDK7 (0.84) CDK7CCNHCCNKCDK9CDK12
SCHEMBL16665178 0.85 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18072745 0.85 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12
SCHEMBL18047265 0.85 CDK7 (0.88) CDK7CCNHCCNKCDK9CDK12

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2020-06-25 — — 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
WO-2019035866-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX THE BRIGHAM & WOMEN'S HOSPITAL, INC. (US) 2019-02-21 — — WO 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
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 — — US disclosed
WO-2015154039-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2015-10-08 — — WO disclosed
WO-2015154038-A1 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 (6 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 CDK7 1/4885CCNH 31/4885CCNK 8/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNK 8/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNK 8/4885
US-20200197392-A1 COMPOSITIONS AND METHODS FOR TREATING TUBEROUS SCLEROSIS COMPLEX CDK7, CDK17, MTOR CDK7 1/4885CCNH 16/4885CCNK 12/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNK 8/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK7 1/4885CCNH 31/4885CCNK 8/4885

“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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