SCHEMBL4703005

SCHEMBL4703005

C[C@H]1C[C@@H](C(N)=O)N(c2nsc(-c3ccc(N4CCN(CC#N)CC4)cc3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.36
WNT3A P56704 1/20 0.35
JAK2 O60674 4/20 0.33
CHEK1 O14757 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
SLC27A1 Q6PCB7 1/20 0.31
ENPP2 Q13822 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL4701375 0.84 SYK (0.35) SYKWNT3ACHEK1CTSSCTSK
SCHEMBL4701773 0.84 WNT3A (0.36) SYKWNT3AJAK2CHEK1GAA
SCHEMBL4701793 0.83 USP2 (0.37) SYKWNT3AJAK2TSHRENPP2
SCHEMBL4698764 0.83 WNT3A (0.36) SYKWNT3ACTSSCTSK
SCHEMBL4700970 0.81 CYP1A2 (0.43) GAATSHRENPP2CTSSCTSK
SCHEMBL4702478 0.80 SYK (0.37) SYKWNT3AJAK2
SCHEMBL4699837 0.79 WNT3A (0.36) SYKWNT3AJAK2CTSSCTSK
SCHEMBL4704056 0.79 SYK (0.35) SYKWNT3AJAK2CHEK1CTSS
SCHEMBL4699920 0.79 CTSK (0.40) WNT3ACTSSCTSK
SCHEMBL4702993 0.78 CTSS (0.42) JAK2CTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ SYK 3466/4885WNT3A 3276/4885JAK2 3823/4885

“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.