SCHEMBL1777618

SCHEMBL1777618

O=C(Cn1cccc1-c1cc2cccnc2[nH]1)NCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
HTT P42858 1/20 0.47
RXFP1 Q9HBX9 4/20 0.46
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.42
LMNA P02545 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
SCHEMBL12606193 0.80 RIPK1 (0.54)
SCHEMBL1777854 0.78 HTT (0.51) HTTRXFP1NPSR1MAPTL3MBTL1
SCHEMBL1777072 0.76 RIPK1 (0.47)
SCHEMBL1779374 0.75 KMT2A (0.46) HTTRXFP1MAPTHSD17B10CASP1
SCHEMBL1778230 0.75 RIPK1 (0.55) L3MBTL1HSD17B10KDM4EHPGDTSHR
SCHEMBL1776998 0.75 KCNJ6 (0.42) HPGDALDH1A1LMNA
SCHEMBL1777814 0.75 RIPK1 (0.43) POLBRXFP1HSD17B10CASP1CASP7
SCHEMBL1777920 0.74 RIPK1 (0.44)
SCHEMBL1777574 0.73 RIPK1 (0.47) HTTNPSR1MAPTHSD17B10KDM4E
SCHEMBL1778848 0.72 HRH4 (0.43) POLB

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-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP claimed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US 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
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US 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-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP 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-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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 (2 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 POLB 3228/4885HTT 4689/4885RXFP1 3391/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 POLB 2217/4885HTT 4548/4885RXFP1 4235/4885

“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.