SCHEMBL17150744

SCHEMBL17150744

CCc1cnc(N[C@@H]2CCC[C@](C)(NCc3ccc([N+](=O)[O-])cn3)C2)nc1-c1c2ccccc2nn1COCC[Si](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 6/20 0.33
▸ CCNK O75909 6/20 0.33
▸ CDK2 P24941 6/20 0.33
▸ CDK9 P50750 6/20 0.33
▸ CDK12 Q9NYV4 6/20 0.33
▸ CCNE1 P24864 5/20 0.33
▸ CDK7 P50613 3/20 0.33
▸ CCNH P51946 3/20 0.33
▸ MNAT1 P51948 3/20 0.33

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
SCHEMBL17141323 0.91 CCNT1 (0.34) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL17151937 0.89 CCNT1 (0.32) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL17150724 0.84 CDK7 (0.50) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL17150641 0.83 CDK2 (0.38) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL20412364 0.81 CDK2 (0.34) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL17150455 0.79 CDK7 (0.56) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL20416033 0.74 — —
SCHEMBL17150740 0.74 CDK2 (0.39) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL17150639 0.73 CDK2 (0.35) CCNT1CCNKCDK2CDK9CDK12
SCHEMBL19040158 0.72 CDK7 (0.53) CCNT1CCNKCDK2CDK9CDK12

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
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-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 CCNT1 34/4885CCNK 8/4885CDK2 7/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CCNK 8/4885CDK2 7/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CCNK 8/4885CDK2 7/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CCNK 8/4885CDK2 7/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CCNK 8/4885CDK2 7/4885

“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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