SCHEMBL17150641

SCHEMBL17150641

CCc1cnc(N[C@@H]2CCC[C@](C)(N)C2)nc1-c1c2ccccc2nn1COCC[Si](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.38
▸ CCNK O75909 9/20 0.38
▸ CDK12 Q9NYV4 9/20 0.38
▸ CCNT1 O60563 9/20 0.38
▸ CDK9 P50750 9/20 0.38
▸ CCNE1 P24864 8/20 0.38
▸ CDK7 P50613 7/20 0.38
▸ CCNH P51946 7/20 0.38
▸ MNAT1 P51948 7/20 0.38
▸ MERTK Q12866 3/20 0.32
▸ AXL P30530 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ JUN P05412 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31

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 0.86 CCNT1 (0.34) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL20412364 0.85 CDK2 (0.34) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL17150744 0.83 CCNT1 (0.33) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL17151937 0.82 CCNT1 (0.32) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL20416030 0.81 CCNA2 (0.33) CDK2CCNA2CCNA1
SCHEMBL17150724 0.78 CDK7 (0.50) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL17150740 0.77 CDK2 (0.39) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL17150639 0.76 CDK2 (0.35) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL17150459 0.73 CCNK (0.69) CDK2CCNKCDK12CCNT1CDK9
SCHEMBL19040162 0.72 CCNT1 (0.53) CDK2CCNKCDK12CCNT1CDK9

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-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 (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 CDK2 7/4885CCNK 8/4885CDK12 24/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNK 8/4885CDK12 24/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNK 8/4885CDK12 24/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNK 8/4885CDK12 24/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 7/4885CCNK 8/4885CDK12 24/4885

“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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