SCHEMBL23664185

SCHEMBL23664185

CC(=O)N1CCC(CN2CCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)CC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 16/20 0.73
▸ CCNE2 O96020 7/20 0.73
▸ CCNE1 P24864 7/20 0.73
▸ CDK9 P50750 12/20 0.71
▸ CDK7 P50613 4/20 0.71
▸ CCNT1 O60563 4/20 0.71
▸ CCNH P51946 3/20 0.71
▸ MNAT1 P51948 2/20 0.71
▸ CCNA1 P78396 2/20 0.71
▸ HDAC3 O15379 3/20 0.68
▸ HDAC4 P56524 3/20 0.68
▸ HDAC1 Q13547 3/20 0.68
▸ HDAC7 Q8WUI4 3/20 0.68
▸ HDAC2 Q92769 3/20 0.68
▸ HDAC10 Q969S8 3/20 0.68
▸ HDAC11 Q96DB2 3/20 0.68
▸ HDAC8 Q9BY41 3/20 0.68
▸ HDAC6 Q9UBN7 3/20 0.68
▸ HDAC9 Q9UKV0 3/20 0.68
▸ HDAC5 Q9UQL6 3/20 0.68

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
SCHEMBL17141863 0.91 CDK2 (0.70) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141906 0.91 CDK2 (0.88) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17148365 0.89 CDK2 (0.81) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL24758393 0.86 CDK2 (0.83) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL21534566 0.86 CDK2 (0.68) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17141904 0.86 CDK2 (0.69) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL17148368 0.86 CDK2 (0.76) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL4929170 0.85 CDK2 (1.00) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL19475808 0.85 CDK2 (0.81) CDK2CCNE2CCNE1CDK9CDK7
SCHEMBL23220923 0.85 CDK2 (0.61) CDK2CCNE2CCNE1CDK9CDK7

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-20210221814-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. 2021-07-22 — — 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-20210221814-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 CDK2 8/4885CCNE2 62/4885CCNE1 50/4885

“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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