SCHEMBL25118098

SCHEMBL25118098

CCOC(=O)c1cnn2cc(N3CCOCC3)c(NCc3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ JAK2 O60674 4/20 0.36
▸ NTRK1 P04629 4/20 0.36
▸ MAPK14 Q16539 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ STAT6 P42226 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 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
SCHEMBL25118097 1.00 RAF1 (0.37) RAF1BRAFJAK2NTRK1MAPK14
SCHEMBL25117792 0.88 JAK2 (0.35) JAK2NTRK1BRD4ADORA3ADORA2A
SCHEMBL25117922 0.85 JAK2 (0.36) JAK2NTRK1ADORA3ADORA2AKDM4E
SCHEMBL25117920 0.85 JAK2 (0.36) JAK2NTRK1ADORA3ADORA2AKDM4E
SCHEMBL25118011 0.84 MKNK2 (0.35) JAK2NTRK1BRD4IRAK4ADORA3
SCHEMBL25117793 0.82 JAK2 (0.35) BRAFJAK2NTRK1BRD4ADORA3
SCHEMBL25839410 0.81 JAK2 (0.34) BRAFJAK2NTRK1MAPK14BRD4
SCHEMBL25118102 0.80 JAK2 (0.37) JAK2NTRK1BRD4IRAK4ADORA3
SCHEMBL25117955 0.80 ADORA3 (0.34) BRD4IRAK4ADORA3ADORA2APOLB
SCHEMBL25117956 0.80 ADORA3 (0.34) BRD4IRAK4ADORA3ADORA2APOLB

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 3 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
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 RAF1 58/4885BRAF 20/4885JAK2 9/4885

“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