SCHEMBL1778393

SCHEMBL1778393

CSc1ncc(C=O)n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 4/20 0.33
GAA P10253 4/20 0.33
MAPT P10636 4/20 0.33
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL3762858 0.79 ALDH1A1 (0.52) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL13848829 0.75 MAOA (0.41) TRIM24TRIM33ALDH1A1NPC1GAA
SCHEMBL10748329 0.75 NR4A1 (0.34) ALDH1A1SMN1; SMN2LMNATDP1NR4A1
SCHEMBL10719182 0.74 FBP1 (0.41) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL10719175 0.74 FBP1 (0.41) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL858846 0.72
SCHEMBL10825042 0.72 POLB (0.35) ALDH1A1NPC1MAPTRAB9ALMNA
SCHEMBL10719240 0.71 MAPT (0.51) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8143184 0.71 POLB (0.45) ALDH1A1NPC1GAAMAPTRAB9A
SCHEMBL10718775 0.71 ALDH1A1 (0.37) ALDH1A1MAPTCYP1A2CYP2C9KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62030777-A None JP disclosed
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1725544-B1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-05-27 EP disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-7514458-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
JP-S6230777-A IMIDAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1987-02-09 JP 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 (3 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 TRIM24 4398/4885TRIM33 4591/4885ALDH1A1 4397/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 TRIM24 3884/4885TRIM33 4502/4885ALDH1A1 939/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 TRIM24 4042/4885TRIM33 4205/4885ALDH1A1 4673/4885

“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.