SCHEMBL1779408

SCHEMBL1779408

CC(C)(C)[Si](C)(C)OCCn1cc(C#N)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ HTT P42858 4/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ POLB P06746 1/20 0.49
▸ IMPDH2 P12268 1/20 0.48
▸ STAT3 P40763 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ P2RX7 Q99572 1/20 0.42

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
SCHEMBL1777652 0.93 MAPT (0.62) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL1779585 0.82 L3MBTL1 (0.45) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL31370787 0.81 DUT (0.38) MAPTL3MBTL1ALDH1A1TDP1TSHR
SCHEMBL18616173 0.80 MCL1 (0.40) MAPTL3MBTL1TSHR
SCHEMBL5823744 0.78 POLB (0.59) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL30647201 0.78 POLB (0.59) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL20604606 0.76 L3MBTL1 (0.36) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL2020146 0.76 MAPT (0.43) MAPTL3MBTL1HTTALDH1A1KMT2A
SCHEMBL1780510 0.76 HTT (0.47) MAPTL3MBTL1HTTKMT2AMEN1
SCHEMBL8240740 0.75 MAPT (0.74) MAPTL3MBTL1HTTALDH1A1KMT2A

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 MAPT 4861/4885L3MBTL1 2911/4885HTT 3327/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPT 3999/4885L3MBTL1 4557/4885HTT 4689/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPT 4875/4885L3MBTL1 2911/4885HTT 2148/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPT 911/4885L3MBTL1 4695/4885HTT 4548/4885

“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.

Send feedback