SCHEMBL25839398

SCHEMBL25839398

CCOC(=O)c1cnn2cc(-c3ccccc3)c(N[C@H](C)c3cc(F)cnc3O[C@@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.36
▸ NTRK1 P04629 4/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ HPGD P15428 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ MKNK2 Q9HBH9 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PPP1CA P62136 1/20 0.34

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
SCHEMBL25839405 0.89 JAK2 (0.35) JAK2NTRK1KDM4EHPGDHSD17B10
SCHEMBL25839388 0.89 JAK2 (0.35) JAK2NTRK1KDM4EHPGDHSD17B10
SCHEMBL25117922 0.89 JAK2 (0.36) JAK2NTRK1KDM4EHPGDHSD17B10
SCHEMBL25117920 0.89 JAK2 (0.36) JAK2NTRK1KDM4EHPGDHSD17B10
SCHEMBL25839403 0.87 EGFR (0.35) JAK2NTRK1MKNK2ADORA3ADORA2A
SCHEMBL25117961 0.82 CCNA2 (0.37) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL25117959 0.82 CCNA2 (0.37) KDM4EHPGDHSD17B10TSHRCASP1
SCHEMBL25117793 0.82 JAK2 (0.35) JAK2NTRK1SMN1; SMN2TGFBR1ADORA3
SCHEMBL30184321 0.82 NTRK1 (0.38) JAK2NTRK1MKNK2ADORA3ADORA2A
SCHEMBL25118011 0.80 MKNK2 (0.35) JAK2NTRK1KDM4EHPGDHSD17B10

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 768/4885KDM4E 1626/4885

“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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