SCHEMBL25839621

SCHEMBL25839621

CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)c(-c3ccccc3)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ BRAF P15056 3/20 0.33
▸ CSNK1D P48730 2/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ MAPT P10636 3/20 0.32

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
SCHEMBL25839421 0.90 KDM4E (0.39) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25117829 0.86 KDM4E (0.43) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25839636 0.84 ADORA3 (0.36) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25839577 0.84 ALDH1A1 (0.35) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25117922 0.84 JAK2 (0.36) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25117920 0.84 JAK2 (0.36) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25117858 0.82 MKNK2 (0.30) ADORA3ADORA2ACCNA2CDK2MKNK2
SCHEMBL25416742 0.82 ALDH1A1 (0.34) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25839656 0.82 ALDH1A1 (0.33) KDM4EHSD17B10HPGDTSHRCASP1
SCHEMBL25171195 0.82 JAK3 (0.33) KDM4EHSD17B10HPGDALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — 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-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF BTK, SRC, YES1 KDM4E 1626/4885HSD17B10 3940/4885HPGD 4855/4885

“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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