SCHEMBL16635907

SCHEMBL16635907

O=C(O)C1CC2CC2CC1c1nc(-c2cncc(F)c2)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
PIK3CG P48736 1/20 0.31
ABL1 P00519 1/20 0.31
PIM1 P11309 1/20 0.31
DYRK1A Q13627 1/20 0.30
HCAR2 Q8TDS4 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
SCHEMBL16635769 0.85 PIM1 (0.33) HDAC4PTGDR2PIK3CGABL1PIM1
SCHEMBL16635736 0.78 KDM4E (0.36) HDAC4PTGDR2ABL1PIM1HCAR2
SCHEMBL16635716 0.77 CTSK (0.48) PIM1DYRK1A
SCHEMBL16635718 0.77 CTSK (0.41) PIM1DYRK1A
SCHEMBL16635677 0.77 CTSK (0.48) PIM1DYRK1A
SCHEMBL16635679 0.77 CTSK (0.41) PIM1DYRK1A
SCHEMBL16637706 0.75 CTSK (0.35) PIM1DYRK1A
SCHEMBL16636405 0.74 PIM1 (0.34) PIK3CGABL1PIM1DYRK1A
SCHEMBL16636403 0.74 PIM1 (0.34) PIK3CGABL1PIM1DYRK1A
SCHEMBL16635827 0.68 CTSK (0.42) PTGDR2

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
EP-3054947-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2021-11-17 EP disclosed
US-9573913-B2 Cathepsin cysteine protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 US disclosed
EP-3054947-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-08-17 EP disclosed
WO-2015054038-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO 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-20160244417-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ HDAC4 778/4885PTGDR2 3364/4885PIK3CG 3238/4885

“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.