SCHEMBL23125459

SCHEMBL23125459

CC(C)(C)OC(=O)N(CC1CCOCC1)c1nc(-c2ccnc(Cl)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.43
▸ UCHL1 P09936 1/20 0.43
▸ GSTO1 P78417 1/20 0.41
▸ PTPRB P23467 1/20 0.38
▸ FFAR2 O15552 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ TSHR P16473 6/20 0.37
▸ LMNA P02545 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ USP2 O75604 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL21747536 0.87 CPB1 (0.45) GSTO1PTPRBFFAR2ALDH1A1TSHR
SCHEMBL21757533 0.80 CCNK (0.53) USP30UCHL1FFAR2CCNKCDK9
SCHEMBL21757581 0.78 GSTO1 (0.35) USP30UCHL1GSTO1PTPRBFFAR2
SCHEMBL23125489 0.73 CCNK (0.44) USP30UCHL1GSTO1PTPRBFFAR2
SCHEMBL21757604 0.71 CCNK (0.42) USP30UCHL1GSTO1PTPRBFFAR2
SCHEMBL21747538 0.70 EIF4E (0.46) CYP3A4ROCK1CCNKCDK9
SCHEMBL104784 0.69 GPR119 (0.33) KMT2ASMN1; SMN2HPGDCDK9MAPK1
SCHEMBL1192313 0.68 CNR2 (0.35) TSHRKMT2ACDK9MAPK1
SCHEMBL448401 0.67 CYP3A4 (0.57) ALDH1A1MEN1KMT2ACYP3A4ROCK1
SCHEMBL21747534 0.67 CCNK (0.59) FFAR2CPB1CCNKCDK9

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-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2021-03-23 — — 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-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 CDK9, CDK19, CDK1 USP30 1848/4885UCHL1 3034/4885GSTO1 3586/4885

“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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