SCHEMBL1779374

SCHEMBL1779374

COc1ccc2c(c1)cc(-c1cc3cccnc3[nH]1)n2CCC(=O)NCC1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 7/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL1779988 0.83 RIPK1 (0.44) KMT2AMEN1ALDH1A1KDM4ERXFP1
SCHEMBL1777852 0.81 RIPK1 (0.49) KMT2AMEN1ALDH1A1HTT
SCHEMBL1779535 0.80 RIPK1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL1777854 0.80 HTT (0.51) KMT2AMEN1NPC1RAB9AHPGD
SCHEMBL1778783 0.80 RIPK1 (0.48) HPGDALDH1A1KDM4EGAAHSD17B10
SCHEMBL1778988 0.80 RIPK1 (0.49) NPC1RAB9AALDH1A1GAAMAPT
SCHEMBL1779480 0.79 RIPK1 (0.41) KMT2AGAA
SCHEMBL1779933 0.77 DRD2 (0.44) ALDH1A1KDM4EGAAMAPT
SCHEMBL1777618 0.75 POLB (0.47) HPGDALDH1A1KDM4EHSD17B10CASP1
SCHEMBL1777564 0.73 RIPK1 (0.41) KMT2AMEN1ALDH1A1KDM4E

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 KMT2A 991/4885MEN1 696/4885NPC1 2780/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 KMT2A 2412/4885MEN1 3576/4885NPC1 3333/4885

“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.