SCHEMBL25839410

SCHEMBL25839410

CCOC(=O)c1cnn2cc(-c3ccc(NC(=O)OC(C)(C)C)cc3Cl)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.34
▸ NTRK1 P04629 4/20 0.34
▸ EGFR P00533 3/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ MET P08581 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ MKNK2 Q9HBH9 3/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ SRC P12931 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
SCHEMBL25839403 0.89 EGFR (0.35) JAK2NTRK1EGFRERBB2BRAF
SCHEMBL25117920 0.87 JAK2 (0.36) JAK2NTRK1EGFRERBB2ADORA3
SCHEMBL25117922 0.87 JAK2 (0.36) JAK2NTRK1EGFRERBB2ADORA3
SCHEMBL25117793 0.87 JAK2 (0.35) JAK2NTRK1BRAFBRD4ADORA3
SCHEMBL25117792 0.85 JAK2 (0.35) JAK2NTRK1BRD4ADORA3ADORA2A
SCHEMBL25118011 0.84 MKNK2 (0.35) JAK2NTRK1EGFRERBB2BRD4
SCHEMBL25117959 0.82 CCNA2 (0.37) EGFRERBB2ADORA3ADORA2A
SCHEMBL25117961 0.82 CCNA2 (0.37) EGFRERBB2ADORA3ADORA2A
SCHEMBL25118097 0.81 RAF1 (0.37) JAK2NTRK1BRAFBRD4ADORA3
SCHEMBL25118098 0.81 RAF1 (0.37) JAK2NTRK1BRAFBRD4ADORA3

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 JAK2 9/4885NTRK1 768/4885EGFR 141/4885

“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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