SCHEMBL1777155

SCHEMBL1777155

COc1ccc2c(c1)c(-c1cc3c(OC)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
LCK P06239 1/20 0.43
IGF1R P08069 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
BTK Q06187 1/20 0.43
LRRK2 Q5S007 1/20 0.43
AURKB Q96GD4 1/20 0.43
HTR6 P50406 5/20 0.41
EED O75530 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL1778388 0.90 JAK2 (0.41) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL1777441 0.88 LMNA (0.43) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL1779126 0.88 HTR6 (0.40) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL2760600 0.88 PTGDR2 (0.38) KMT2AMEN1PTGDR2
SCHEMBL1778063 0.88 JAK2 (0.41) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL1780223 0.86 BRD4 (0.41) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL1779630 0.85 HTR6 (0.44) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL5408823 0.85 HTR6 (0.41) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL1778265 0.85 JAK2 (0.41) JAK2LCKIGF1RGSK3AGSK3B
SCHEMBL14427723 0.84 HTR6 (0.41) JAK2LCKIGF1RGSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US 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
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 JAK2 302/4885LCK 480/4885IGF1R 2352/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 JAK2 337/4885LCK 155/4885IGF1R 1574/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 JAK2 333/4885LCK 481/4885IGF1R 2074/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 JAK2 345/4885LCK 66/4885IGF1R 1245/4885

“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.