SCHEMBL19580247

SCHEMBL19580247

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](Nc2ncc(F)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.43
▸ DRD2 P14416 4/20 0.40
▸ HTR2A P28223 4/20 0.40
▸ HTR7 P34969 4/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CDK7 P50613 5/20 0.38
▸ CCNT1 O60563 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ CCNH P51946 2/20 0.37
▸ MNAT1 P51948 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20412340 0.91 CDK7 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL16665090 0.91 CDK7 (0.47) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL16655082 0.91 CDK7 (0.44) HTR6DRD2HTR2AHTR7CDK7
SCHEMBL16655081 0.91 CDK7 (0.44) HTR6DRD2HTR2AHTR7CDK7
SCHEMBL18047299 0.90 HTR6 (0.45) HTR6DRD2HTR2AHTR7CDK7
SCHEMBL18047298 0.90 HTR6 (0.45) HTR6DRD2HTR2AHTR7CDK7
SCHEMBL17150622 0.90 HTR6 (0.42) HTR6DRD2HTR2AHTR7CDK7
SCHEMBL16665578 0.88 HTR6 (0.46) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL18074045 0.88 HTR6 (0.46) HTR6CDK7CCNT1CDK9CCNH
SCHEMBL17688362 0.85 HTR6 (0.41) HTR6DRD2HTR2AHTR7CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2021-03-04 — — US disclosed
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2020-12-15 — — US disclosed
US-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-11-07 — — US disclosed
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-06-04 — — US disclosed
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-11-16 — — US 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-20190337940-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-10308648-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-20170327496-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-20210061803-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885
US-10865206-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3520/4885DRD2 4755/4885HTR2A 4656/4885

“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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