SCHEMBL873984

SCHEMBL873984

COc1ccc(Cn2c(=O)[nH]c3c(Cl)nc(N)nc32)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 12/20 0.70
HSP90B1 P14625 9/20 0.70
HSP90AA1 P07900 5/20 0.55
TLR7 Q9NYK1 6/20 0.48
ADORA2A P29274 1/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TLR8 Q9NR97 1/20 0.45
NUDT1 P36639 1/20 0.45

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
SCHEMBL23202316 0.86 TRAP1 (0.69) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL30012102 0.86 TRAP1 (0.69) TRAP1HSP90B1HSP90AA1TLR7ADORA2A
SCHEMBL872739 0.80 PDE5A (0.47) TRAP1HSP90B1HSP90AA1ADORA2AKDM4E
SCHEMBL14366720 0.78 HSP90AA1 (0.62) TRAP1HSP90B1HSP90AA1
SCHEMBL4268613 0.77 HSP90AA1 (0.64) TRAP1HSP90B1HSP90AA1
SCHEMBL14366715 0.77 HSP90AA1 (0.57) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL14366723 0.76 TRAP1 (0.56) TRAP1HSP90B1HSP90AA1
SCHEMBL30012779 0.76 TLR7 (0.62) TRAP1HSP90B1TLR7ADORA2AKDM4E
SCHEMBL23392757 0.76 TLR7 (0.62) TRAP1HSP90B1TLR7ADORA2AKDM4E
SCHEMBL14366714 0.75 HSP90AA1 (0.55) TRAP1HSP90B1HSP90AA1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619211-B1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LTD (IN) 2015-09-09 EP disclosed
EP-2619211-B1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LTD (IN) 2015-09-09 EP disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-9006177-B2 Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LIMITED (IN) 2015-04-14 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
US-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2013-09-26 US disclosed
EP-2619211-A2 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Private Limited (IN) 2013-07-31 EP disclosed
WO-2012038980-A2 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS LIMITED (IN) 2012-03-29 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 (1 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-20130252885-A1 FUSED TRICYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 TRAP1 1113/4885HSP90B1 3263/4885HSP90AA1 2946/4885

“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.