SCHEMBL25118177

SCHEMBL25118177

COC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)c(Br)c(NCc3cc(F)cnc3OC3CCCC3NC(=O)OC(C)(C)C)nc12

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ SYK P43405 3/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ MERTK Q12866 7/20 0.31
▸ AXL P30530 5/20 0.31
▸ MET P08581 2/20 0.31
▸ TYRO3 Q06418 2/20 0.31
▸ HTR2C P28335 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
SCHEMBL25117861 0.94 ALDH1A1 (0.33) NTRK1JAK2TYK2L3MBTL1KDM4E
SCHEMBL25839690 0.85 JAK2 (0.35) NTRK1JAK2TYK2L3MBTL1KDM4E
SCHEMBL30309824 0.84 ALDH1A1 (0.34) NTRK1JAK2TYK2L3MBTL1KDM4E
SCHEMBL25839563 0.84 ALDH1A1 (0.34) NTRK1JAK2TYK2L3MBTL1KDM4E
SCHEMBL25118112 0.83 ALDH1A1 (0.39) TYK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL25118141 0.81 ALDH1A1 (0.33) TYK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL25839766 0.81 ALDH1A1 (0.33) TYK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL25118111 0.77 ALDH1A1 (0.34) L3MBTL1KDM4EALDH1A1HPGDMAPK1
SCHEMBL25839577 0.75 ALDH1A1 (0.35) NTRK1JAK2L3MBTL1KDM4EALDH1A1
SCHEMBL25839689 0.75 JAK2 (0.33) NTRK1JAK2L3MBTL1KDM4EALDH1A1

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
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 NTRK1 768/4885JAK2 9/4885TYK2 24/4885

“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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