SCHEMBL20549312

SCHEMBL20549312

CC(C)(C)C1(NC(=O)O)CCC[C@@H](Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.47
▸ CDK9 P50750 5/20 0.47
▸ CDK7 P50613 4/20 0.47
▸ CCNH P51946 4/20 0.47
▸ MNAT1 P51948 4/20 0.47
▸ CDK2 P24941 7/20 0.44
▸ CCNE1 P24864 3/20 0.44
▸ HTR6 P50406 7/20 0.42
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ MAPK8 P45983 6/20 0.39
▸ MAPK9 P45984 6/20 0.39
▸ JUN P05412 5/20 0.39
▸ MAPK10 P53779 4/20 0.39
▸ EGFR P00533 2/20 0.39
▸ CCNK O75909 2/20 0.38
▸ CDK12 Q9NYV4 2/20 0.38

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
SCHEMBL20549338 0.90 HTR6 (0.40) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL21027469 0.86 CCNT1 (0.52) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL20549548 0.85 CDK7 (0.46) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17688395 0.85 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL19024518 0.85 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17150473 0.85 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL20536159 0.85 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL17150411 0.84 CDK7 (0.51) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16665199 0.82 CDK7 (0.58) CCNT1CDK9CDK7CCNHMNAT1
SCHEMBL16654932 0.82 CDK7 (0.48) CCNT1CDK9CDK7CCNHMNAT1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CCNT1 34/4885CDK9 3/4885CDK7 1/4885

“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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