SCHEMBL3606702

SCHEMBL3606702

N#Cc1ncc(C(=O)Cl)c(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.32
CTSL P07711 3/20 0.32
CTSK P43235 3/20 0.32
RPS6KA5 O75582 1/20 0.31
KMO O15229 1/20 0.31
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL8540300 0.77 KDM4E (0.40) JUNNFKB1NFKB2RELA
SCHEMBL31469871 0.75 NFKB1 (0.46) JUNNFKB1NFKB2RELAKEAP1
SCHEMBL429969 0.75 NFKB1 (0.46) JUNNFKB1NFKB2RELAKEAP1
SCHEMBL8949225 0.73 CASP1 (0.43)
SCHEMBL3820259 0.72 RPS6KA5 (0.42) CTSSCTSLCTSKRPS6KA5KMO
SCHEMBL10585289 0.72 ALDH1A1 (0.38) JUNNFKB1NFKB2RELAKEAP1
Bromide SCHEMBL29094882 0.71 RPS6KA5 (0.41) CTSSCTSLCTSKRPS6KA5KMO
SCHEMBL28808654 0.69 CSNK1A1 (0.41) CTSSCTSLCTSKRPS6KA5KMO
SCHEMBL31512335 0.69 ALDH1A1 (0.36) CTSSCTSLCTSKRPS6KA5KMO
SCHEMBL1443310 0.69 MAPT (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF CTSS 1/4885CTSL 9/4885CTSK 8/4885

“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.