SCHEMBL5789412

SCHEMBL5789412

CC(C)(C)CNc1nc(Cl)ncc1C=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.42
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
CTSL P07711 2/20 0.36
MAPK8 P45983 7/20 0.34
JAK3 P52333 1/20 0.31
S100A9 P06702 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL14809903 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1STK17BSTK17AS100A9
SCHEMBL1938007 0.80 STK17A (0.50) NUDT1ALDH1A1L3MBTL1STK17BSTK17A
SCHEMBL22866258 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1STK17BSTK17AMEN1
SCHEMBL23142051 0.79 NUDT1 (0.40) NUDT1ALDH1A1JAK2JAK1MAPK8
SCHEMBL30718893 0.78 MEN1 (0.46) NUDT1ALDH1A1L3MBTL1STK17BSTK17A
SCHEMBL4137651 0.78 NUDT1 (0.51) NUDT1ALDH1A1L3MBTL1STK17BSTK17A
SCHEMBL4134213 0.78 MEN1 (0.46) NUDT1ALDH1A1L3MBTL1STK17BSTK17A
SCHEMBL3140746 0.76 XDH (0.39) ALDH1A1L3MBTL1STK17BSTK17AJAK2
SCHEMBL5436631 0.76 NUDT1 (0.43) NUDT1ALDH1A1L3MBTL1STK17BSTK17A
SCHEMBL5787248 0.76 MAPK8 (0.43) NUDT1STK17BSTK17AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423121-B1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2006-11-15 EP disclosed
US-7112589-B2 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2006-09-26 US disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (2 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-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ NUDT1 1614/4885ALDH1A1 2591/4885L3MBTL1 3394/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ NUDT1 1583/4885ALDH1A1 3065/4885L3MBTL1 3694/4885

“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.