SCHEMBL872739

SCHEMBL872739

COc1ccc(Cn2c(=O)n(C)c3c(Cl)nc(N)nc32)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.47
ADORA2A P29274 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.45
TRAP1 Q12931 4/20 0.44
HSP90B1 P14625 2/20 0.44
HSP90AB1 P08238 2/20 0.43
HSP90AA1 P07900 1/20 0.43
UBE2N P61088 1/20 0.43
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL26926620 0.86 MAPT (0.50) PDE5AADORA2AMAPTPKMKDM4E
SCHEMBL872083 0.86 PDE5A (0.45) PDE5AADORA2ASMN1; SMN2MAPTHSP90AB1
SCHEMBL873984 0.80 TRAP1 (0.70) ADORA2AMAPTTRAP1HSP90B1HSP90AA1
SCHEMBL27932435 0.76 ADORA2A (0.42) PDE5AADORA2ASMN1; SMN2MAPTPKM
SCHEMBL872480 0.76 KDM4E (0.45) ADORA2ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL15277465 0.73 ADORA2A (0.60) ADORA2A
SCHEMBL3392226 0.73 HSP90AB1 (0.77) TRAP1HSP90B1HSP90AB1HSP90AA1
SCHEMBL4805239 0.72 L3MBTL1 (0.49) PDE5ASMN1; SMN2MAPTHSP90AA1KDM4E
SCHEMBL23392733 0.72 ADORA3 (0.51) PDE5AADORA3NPSR1
SCHEMBL30012403 0.72 ADORA3 (0.51) PDE5AADORA3NPSR1

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 PDE5A 1500/4885ADORA2A 1/4885SMN1; SMN2 193/4885

“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.