SCHEMBL25117792

SCHEMBL25117792

CCOC(=O)c1cnn2cc(Br)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.35
▸ NTRK1 P04629 4/20 0.35
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ BRD4 O60885 5/20 0.33
▸ MKNK2 Q9HBH9 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ ADORA1 P30542 1/20 0.31

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
SCHEMBL25118102 0.92 JAK2 (0.37) JAK2NTRK1ADORA3ADORA2ABRD4
SCHEMBL25117956 0.92 ADORA3 (0.34) ADORA3ADORA2ABRD4PCSK9ADORA1
SCHEMBL25117955 0.92 ADORA3 (0.34) ADORA3ADORA2ABRD4PCSK9ADORA1
SCHEMBL25117922 0.89 JAK2 (0.36) JAK2NTRK1ADORA3ADORA2AMKNK2
SCHEMBL25117920 0.89 JAK2 (0.36) JAK2NTRK1ADORA3ADORA2AMKNK2
SCHEMBL25118098 0.88 RAF1 (0.37) JAK2NTRK1ADORA3ADORA2ABRD4
SCHEMBL25118097 0.88 RAF1 (0.37) JAK2NTRK1ADORA3ADORA2ABRD4
SCHEMBL25118011 0.88 MKNK2 (0.35) JAK2NTRK1ADORA3ADORA2ABRD4
SCHEMBL25839388 0.88 JAK2 (0.35) JAK2NTRK1ADORA3ADORA2ABRD4
SCHEMBL25839405 0.88 JAK2 (0.35) JAK2NTRK1ADORA3ADORA2ABRD4

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 5 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
US-20230219978-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF SCINNOHUB PHARMACEUTICAL CO., LTD (CN) 2023-07-13 — — US disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — EP disclosed
EP-4163283-A1 COMPOUND HAVING MACROCYCLIC STRUCTURE AND USE THEREOF Scinnohub Pharmaceutical Co., Ltd (CN) 2023-04-12 — — 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 (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 768/4885ADORA3 1899/4885

“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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