SCHEMBL17150622

SCHEMBL17150622

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.42
▸ CDK7 P50613 7/20 0.40
▸ CCNH P51946 6/20 0.40
▸ MNAT1 P51948 6/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ DRD2 P14416 3/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ CCNT1 O60563 3/20 0.36
▸ CDK9 P50750 3/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CKS1B P61024 1/20 0.36

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
SCHEMBL19024465 0.90 HTR6 (0.43) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL19024462 0.90 HTR6 (0.43) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL20412340 0.90 CDK7 (0.47) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL16665090 0.90 CDK7 (0.47) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL19580247 0.90 HTR6 (0.43) HTR6CDK7CCNHMNAT1DRD2
SCHEMBL18074045 0.87 HTR6 (0.46) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL16665578 0.87 HTR6 (0.46) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL20549336 0.85 CDK7 (0.41) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL16654783 0.85 CDK7 (0.53) HTR6CDK7CCNHMNAT1CCNE1
SCHEMBL19024538 0.84 CDK7 (0.43) HTR6CDK7CCNHMNAT1CCNE1

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-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 — — 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
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 (3 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-20180208578-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 HTR6 3416/4885CDK7 1/4885CCNH 31/4885

“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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