SCHEMBL17150463

SCHEMBL17150463

C=Cc1cnc(N[C@@H]2CCC[C@](C)(NC(=O)OCc3ccccc3)C2)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.38
▸ CDK7 P50613 4/20 0.37
▸ CCNT1 O60563 4/20 0.37
▸ CDK9 P50750 4/20 0.37
▸ CCNH P51946 3/20 0.37
▸ MNAT1 P51948 3/20 0.37
▸ CCNK O75909 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ DRD2 P14416 4/20 0.35
▸ HTR7 P34969 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ TGM2 P21980 3/20 0.34
▸ TGM1 P22735 3/20 0.34
▸ F13A1 P00488 2/20 0.33
▸ TGM6 O95932 1/20 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
SCHEMBL17150461 0.91 CDK7 (0.43) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL20994617 0.91 CDK7 (0.43) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL19040163 0.90 CDK7 (0.44) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17149745 0.87 HTR6 (0.37) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL17150729 0.86 TGM2 (0.40) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL19024458 0.84 HTR6 (0.39) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL19040167 0.82 CDK2 (0.39) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL19040164 0.80 CDK7 (0.56) CDK7CCNT1CDK9CCNHMNAT1
SCHEMBL17150470 0.80 CDK7 (0.45) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL17149737 0.79 CDK2 (0.41) HTR6CDK7CCNT1CDK9CCNH

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 10 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-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 HTR6 3416/4885CDK7 1/4885CCNT1 34/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNT1 34/4885
US-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNT1 34/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNT1 34/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNT1 34/4885

“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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