SCHEMBL1780510

SCHEMBL1780510

COc1ccc2c(c1)c(C#N)cn2CCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ PDE4B Q07343 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DUT P33316 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ XDH P47989 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
SCHEMBL1779585 0.94 L3MBTL1 (0.45) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL1777652 0.83 MAPT (0.62) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL1779408 0.76 MAPT (0.58) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL20604703 0.75 DUT (0.41) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL3111324 0.74 HTT (0.43) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL1779842 0.73 GSK3B (0.62) PDE4BDUT
SCHEMBL6030247 0.73 HTR2A (0.54) DUT
SCHEMBL3229455 0.72 PDE4B (0.41) HTTMAPTL3MBTL1LMNASMN1; SMN2
SCHEMBL6031798 0.71 CNR2 (0.43) L3MBTL1LMNASMN1; SMN2TSHRDUT
SCHEMBL981317 0.71 HTT (0.50) HTTMAPTL3MBTL1LMNASMN1; 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 HTT 3327/4885MAPT 4861/4885L3MBTL1 2911/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 HTT 4689/4885MAPT 3999/4885L3MBTL1 4557/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 HTT 2148/4885MAPT 4875/4885L3MBTL1 2911/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 HTT 4548/4885MAPT 911/4885L3MBTL1 4695/4885

“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.

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