SCHEMBL3601302

SCHEMBL3601302

C=CCOC(=O)c1cnc(C#N)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
RHOA P61586 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
SCHEMBL3558245 0.81 KMT2A (0.50) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2577778 0.75 SNCA (0.54) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL6230747 0.74 SNCA (0.54) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL1461229 0.73 MEN1 (0.54) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8055864 0.73 MEN1 (0.54) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL3230622 0.73 MAPK1 (0.50) ALDH1A1TSHRTDP1KDM4EMAPT
SCHEMBL23537696 0.72 MEN1 (0.53) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL13563235 0.72 MEN1 (0.53) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL30013699 0.72 MEN1 (0.53) SNCAMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL10664482 0.72 KMT2A (0.53) SNCAMEN1KMT2ACYP3A4ALDH1A1

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 SNCA 2415/4885MEN1 3015/4885KMT2A 2919/4885

“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.