SCHEMBL3103172

SCHEMBL3103172

COC(=O)c1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SYK P43405 1/20 0.40
ENPP3 O14638 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
SLC40A1 Q9NP59 1/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
CYP2C9 P11712 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL3111731 0.94 SCN9A (0.42) PTGDR2L3MBTL1ENPP3ALOX15HTT
SCHEMBL1778583 0.90 PTGDR2 (0.44) PTGDR2L3MBTL1SYKENPP3HTT
SCHEMBL1778089 0.90 L3MBTL1 (0.43) PTGDR2L3MBTL1SYKENPP3HTT
SCHEMBL1778004 0.87 L3MBTL1 (0.41) PTGDR2L3MBTL1SYKENPP3HTT
SCHEMBL1779630 0.86 HTR6 (0.44) PTGDR2L3MBTL1KDM4ECYP3A4
SCHEMBL1777336 0.86 L3MBTL1 (0.46) PTGDR2L3MBTL1ENPP3HTTLMNA
SCHEMBL1778006 0.85 L3MBTL1 (0.41) PTGDR2L3MBTL1SYKENPP3HTT
SCHEMBL1780127 0.85 PTGDR2 (0.43) PTGDR2L3MBTL1ENPP3LMNAALDH1A1
SCHEMBL6140206 0.85 L3MBTL1 (0.47) PTGDR2L3MBTL1ENPP3HTTLMNA
SCHEMBL1778452 0.84 PTGDR2 (0.43) PTGDR2L3MBTL1ENPP3HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-B1 Azaindoles AVENTIS PHARMA LTD (GB) 2012-04-04 EP disclosed
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 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-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 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 (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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 PTGDR2 1659/4885L3MBTL1 2911/4885SYK 1822/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 PTGDR2 1357/4885L3MBTL1 2911/4885SYK 1896/4885

“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.