SCHEMBL872848

SCHEMBL872848

Cn1c(=O)n(CCO)c2nc(N)nc(NN)c21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
PDE5A O76074 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TSHR P16473 2/20 0.33
ADORA2B P29275 2/20 0.32
LMNA P02545 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
BRAF P15056 1/20 0.31
PIK3CG P48736 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL871896 0.88 TSHR (0.37) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL17066867 0.86 ADORA2A (0.35) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL872376 0.83 ALDH1A1 (0.36) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL17066830 0.82 PIK3CA (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL15261253 0.82 PIK3CA (0.31)
SCHEMBL872374 0.81 ADORA2A (0.40) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL876961 0.81 EEF2K (0.34) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL872488 0.81 PDE5A (0.46) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL15261620 0.75 KDM4E (0.37) TSHRLMNAADORA3KDM4E
SCHEMBL881444 0.75 KDM5A (0.39) ADORA2AMEN1KMT2ALMNAKDM4E

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 11 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
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 ADORA2A 1/4885PDE4A 571/4885PDE4B 604/4885

“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.