SCHEMBL872376

SCHEMBL872376

COCCn1c(=O)n(CCO)c2nc(N)nc(NN)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADORA2B P29275 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ADORA2A P29274 3/20 0.34
MTOR P42345 1/20 0.33
RGS4 P49798 1/20 0.33
RGS8 P57771 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 6/20 0.32
HSD17B10 Q99714 4/20 0.32
CYP3A4 P08684 3/20 0.32
USP2 O75604 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
CASP1 P29466 3/20 0.32

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 0.85 TSHR (0.37) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL872655 0.84 ALDH1A1 (0.39) ALDH1A1RXFP1ADORA2BPDE4APDE4B
SCHEMBL872848 0.83 ADORA2A (0.36) RXFP1ADORA2BPDE4APDE4BPDE4C
SCHEMBL17066830 0.80 PIK3CA (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL15261253 0.79 PIK3CA (0.31)
SCHEMBL872488 0.78 PDE5A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL881892 0.77 ADA (0.47) ALDH1A1ADORA2BADORA2ATSHRHSD17B10
SCHEMBL876961 0.76 EEF2K (0.34) PDE4APDE4BPDE4CPDE4DMTOR
SCHEMBL27932436 0.74 ADORA2A (0.34) ALDH1A1ADORA2BPDE4APDE4BPDE4C
SCHEMBL14536576 0.72 ALDH1A1 (0.48) ALDH1A1RXFP1ADORA2BPDE4APDE4B

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 ALDH1A1 2343/4885RXFP1 2000/4885ADORA2B 2/4885

“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.