SCHEMBL25839689

SCHEMBL25839689

COC(=O)c1cnn2c(N(Cc3ccccc3)Cc3ccccc3)c(-c3ccc(NC(=O)OC(C)(C)C)cc3)c(NCc3cc(F)cnc3OCCNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ITK Q08881 3/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ CASR P41180 2/20 0.32
▸ AURKA O14965 2/20 0.31
▸ RPS6KB1 P23443 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ HTT P42858 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
SCHEMBL25118111 0.93 ALDH1A1 (0.34) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL25118106 0.93 JAK2 (0.32) JAK2NTRK1ALDH1A1KDM4EITK
SCHEMBL25839690 0.89 JAK2 (0.35) JAK2NTRK1ALDH1A1KDM4EITK
SCHEMBL25839577 0.85 ALDH1A1 (0.35) JAK2NTRK1ALDH1A1KDM4EL3MBTL1
SCHEMBL25416742 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL25839652 0.83 ALDH1A1 (0.31) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL25842417 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL25839656 0.82 ALDH1A1 (0.33) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL25171195 0.81 JAK3 (0.33) JAK2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL25117806 0.81 KDM4E (0.40) JAK2NTRK1ALDH1A1KDM4EHPGD

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 JAK2 9/4885NTRK1 768/4885ALDH1A1 4689/4885

“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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