SCHEMBL1777526

SCHEMBL1777526

c1ccc(-c2[nH]c3ncccc3c2CN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALK Q9UM73 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
EIF2AK2 P19525 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
GRIN2B Q13224 2/20 0.45
HTR2A P28223 1/20 0.45
DRD4 P21917 1/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.43
PDE10A Q9Y233 1/20 0.42
METAP2 P50579 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6667384 0.89 HTR2A (0.50) ALDH1A1ALKKDM4EGAAGRIN2B
SCHEMBL857278 0.74 CCNB2 (0.68) PAX8
SCHEMBL22515851 0.74 GRIN2B (0.39) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL857746 0.73 CCNK (0.45) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL30751169 0.73 KDM4E (0.46) ALDH1A1KMT2AMEN1ALKKDM4E
SCHEMBL26670144 0.73 KDM4E (0.46) ALDH1A1KMT2AMEN1ALKKDM4E
SCHEMBL6672302 0.72 CNR1 (0.49) ALDH1A1KDM4EGAAMAPT
SCHEMBL8140328 0.72 HTR6 (0.64) ALDH1A1KMT2AMEN1KDM4EHTR2A
SCHEMBL27944083 0.72 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL30702704 0.71 SMN1; SMN2 (0.44) ALDH1A1KDM4EGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
CN-100379734-C Azaindoles AVENTIS PHARMA LTD (GB) 2008-04-09 CN 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-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 ALDH1A1 4397/4885KMT2A 1541/4885MEN1 3419/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 ALDH1A1 939/4885KMT2A 991/4885MEN1 696/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 ALDH1A1 4673/4885KMT2A 1973/4885MEN1 3057/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 ALDH1A1 3053/4885KMT2A 2412/4885MEN1 3576/4885

“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.