SCHEMBL1778592

SCHEMBL1778592

COc1ccnc2c1ccn2S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
HTR6 P50406 3/20 0.47
RECQL P46063 1/20 0.42
ACVR1 Q04771 1/20 0.42
PKM P14618 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
NOD1 Q9Y239 1/20 0.40
RAPGEF4 Q8WZA2 2/20 0.40
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 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
SCHEMBL2086330 0.88 HTR6 (0.61) L3MBTL1HTR6PKMCYP2C19POLB
SCHEMBL15805310 0.85 L3MBTL1 (0.52) L3MBTL1HTR6PKMCYP2C19MAPK1
SCHEMBL1749202 0.83 L3MBTL1 (0.62) L3MBTL1HTR6PKMCYP2C19HTT
SCHEMBL2237896 0.83 L3MBTL1 (0.62) L3MBTL1HTR6PKMCYP2C19HTT
SCHEMBL30644824 0.82 L3MBTL1 (0.52) L3MBTL1HTR6RECQLCYP2C19HTT
SCHEMBL28694315 0.82 L3MBTL1 (0.52) L3MBTL1HTR6RECQLCYP2C19HTT
SCHEMBL16041301 0.81 CDK9 (0.46) L3MBTL1
SCHEMBL1354366 0.81 L3MBTL1 (0.59) L3MBTL1HTR6PKMCYP2C19HTT
SCHEMBL1749228 0.81 L3MBTL1 (0.59) L3MBTL1HTR6PKMCYP2C19HTT
SCHEMBL29634511 0.81 L3MBTL1 (0.59) L3MBTL1HTR6PKMCYP2C19HTT

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 17 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-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
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
JP-2004242637-A ACQUISITION OF PRIMORDIAL GERM CELL KUWANA TAKASHI 2004-09-02 JP 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 L3MBTL1 2911/4885HTR6 1317/4885RECQL 2365/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 L3MBTL1 4557/4885HTR6 2043/4885RECQL 3600/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 L3MBTL1 2911/4885HTR6 863/4885RECQL 2652/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 L3MBTL1 4695/4885HTR6 1744/4885RECQL 1975/4885

“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.