SCHEMBL21747578

SCHEMBL21747578

COC[C@H](C)NC1CCC(Nc2cc(-c3csc(NCC4CCOCC4)n3)c(Cl)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNK O75909 19/20 1.00
CDK9 P50750 19/20 1.00
CCNT1 O60563 1/20 0.65

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
SCHEMBL23125452 1.00 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL29474397 1.00 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL21747528 1.00 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL21747577 0.87 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL23125447 0.87 CCNK (1.00) CCNKCDK9CCNT1
SCHEMBL28408979 0.86 CCNK (0.76) CCNKCDK9CCNT1
Tambiciclib SCHEMBL23125424 0.85 CDK9 (1.00) CCNKCDK9CCNT1
Tambiciclib SCHEMBL23125451 0.85 CDK9 (1.00) CCNKCDK9CCNT1
Tambiciclib SCHEMBL21747523 0.85 CDK9 (1.00) CCNKCDK9CCNT1
Tambiciclib SCHEMBL21747508 0.85 CDK9 (1.00) CCNKCDK9CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613737-B1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2021-12-29 EP disclosed
US-10952999-B2 Inhibitor of cyclin-dependent kinase CDK9 GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2021-03-23 US disclosed
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Shanghai Jiongshuo Pharmaceutical Technology Co., Ltd. (CN) 2020-03-12 US disclosed
EP-3613737-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 Genfleet Therapeutics (Shanghai) Inc. (CN) 2020-02-26 EP 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 (2 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 CCNK 14/4885CDK9 1/4885CCNT1 32/4885
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 CDK9, CDK19, CDKL1 CCNK 17/4885CDK9 1/4885CCNT1 33/4885

“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.