SCHEMBL25839665

SCHEMBL25839665

CCOC(=O)c1ccn2c(C)c(-c3ccc(Cl)cc3F)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVR1B P36896 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ ACVRL1 P37023 1/20 0.32
▸ MKNK2 Q9HBH9 4/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ P2RX3 P56373 1/20 0.30

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
SCHEMBL30309823 0.89 MDM2 (0.33) —
SCHEMBL25839636 0.80 ADORA3 (0.36) MKNK2ADORA3ADORA2A
SCHEMBL25839664 0.79 ADORA3 (0.34) ADORA3ADORA2A
SCHEMBL25117793 0.78 JAK2 (0.35) TGFBR1JAK3BRD4ADORA3ADORA2A
SCHEMBL25839410 0.76 JAK2 (0.34) MKNK2JAK3BRD4ADORA3ADORA2A
SCHEMBL25117922 0.76 JAK2 (0.36) TGFBR1MKNK2ADORA3ADORA2AJAK2
SCHEMBL25117920 0.76 JAK2 (0.36) TGFBR1MKNK2ADORA3ADORA2AJAK2
SCHEMBL25117792 0.76 JAK2 (0.35) TGFBR1MKNK2BRD4ADORA3ADORA2A
SCHEMBL25839421 0.76 KDM4E (0.39) MKNK2ADORA3ADORA2A
SCHEMBL25839621 0.74 KDM4E (0.38) MKNK2ADORA3ADORA2A

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-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 ACVR1B 3362/4885TGFBR1 829/4885ACVRL1 3084/4885

“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.

Send feedback