SCHEMBL1779746

SCHEMBL1779746

Cn1cc(C#N)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GALR3 O60755 1/20 0.42
HPGD P15428 1/20 0.42
IMPDH2 P12268 1/20 0.42
TSHR P16473 1/20 0.41
MAOA P21397 1/20 0.40
ESR2 Q92731 1/20 0.39

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
SCHEMBL11554541 0.86 KDM4E (0.50) KDM4EALDH1A1GAAGLASMN1; SMN2
SCHEMBL9043576 0.83 MAOA (0.41) KDM4EALDH1A1SMN1; SMN2NPSR1HPGD
SCHEMBL28438987 0.78 TSHR (0.48) SMN1; SMN2IMPDH2TSHR
SCHEMBL27364685 0.78 LOXL2 (0.43) IMPDH2
SCHEMBL27261148 0.77 NPSR1 (0.42) KDM4EALDH1A1GAAGLACYP1A2
SCHEMBL28446642 0.77 IMPDH2 (0.39) KDM4EALDH1A1GAAGLAIMPDH2
SCHEMBL28440611 0.77 L3MBTL1 (0.43) KDM4EALDH1A1GAAHPGDIMPDH2
SCHEMBL28450899 0.77 CYP11B1 (0.39) KDM4EALDH1A1GAASMN1; SMN2HPGD
SCHEMBL11416112 0.75 KDM4E (0.43) KDM4EALDH1A1GAAGLA
SCHEMBL8952162 0.74 TLR8 (0.40) KDM4EALDH1A1GAAGLASMN1; SMN2

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 16 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
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 KDM4E 921/4885ALDH1A1 4397/4885GAA 4362/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 KDM4E 709/4885ALDH1A1 939/4885GAA 1203/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 KDM4E 1192/4885ALDH1A1 4673/4885GAA 4384/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 KDM4E 1826/4885ALDH1A1 3053/4885GAA 2045/4885

“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.