SCHEMBL21747538

SCHEMBL21747538

O=C(NCC1CCOCC1)Oc1nc(-c2ccnc(Cl)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.46
▸ CCNK O75909 8/20 0.41
▸ CDK9 P50750 8/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ KAT7 O95251 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ KAT5 Q92993 1/20 0.36
▸ KAT8 Q9H7Z6 1/20 0.36
▸ GRM4 Q14833 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
SCHEMBL21747535 0.79 CDK9 (0.65) EIF4ECCNKCDK9
SCHEMBL21747510 0.77 AOC2 (0.35) EIF4ENPC1RAB9A
SCHEMBL21747536 0.74 CPB1 (0.45) EIF4ECYP3A4CYP19A1
SCHEMBL21747560 0.71 CCNK (0.54) CCNKCDK9
SCHEMBL23125459 0.70 USP30 (0.43) CCNKCDK9CYP3A4ROCK1
SCHEMBL21747543 0.69 CCNK (0.52) CCNKCDK9NPC1RAB9A
SCHEMBL2389573 0.65 VCP (0.44) IRAK4
SCHEMBL28551860 0.65 ALDH1A1 (0.61) RAB9A
SCHEMBL17180758 0.65 EIF4E (0.81) EIF4ECYP3A4
SCHEMBL19328188 0.64 GSK3B (0.44) EGLN1

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 EIF4E 1345/4885CCNK 14/4885CDK9 1/4885
US-20200078343-A1 NOVEL INHIBITOR OF CYCLIN-DEPENDENT KINASE CDK9 CDK9, CDK19, CDKL1 EIF4E 1684/4885CCNK 17/4885CDK9 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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