SCHEMBL881892

SCHEMBL881892

COCCn1c(=O)n(CCO)c2nc(N)nc(NNC(=O)c3ccco3)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.47
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.43
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALPI P09923 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
CASP1 P29466 2/20 0.35

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
SCHEMBL15261376 0.90 ADA (0.47) ADAADORA2AADORA2BSMN1; SMN2ALDH1A1
SCHEMBL872184 0.89 ADA (0.46) ADAADORA2AADORA2BGAASMN1; SMN2
SCHEMBL15261779 0.86 ADA (0.44) ADAADORA2ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL15261839 0.85 ADA (0.42) ADAADORA2AADORA2BSMN1; SMN2ALDH1A1
SCHEMBL10258583 0.84 ADA (0.42) ADAADORA2AGAASMN1; SMN2ALDH1A1
SCHEMBL872452 0.83 ADA (0.42) ADAADORA2AADORA2BSMN1; SMN2ALDH1A1
SCHEMBL21330966 0.81 ADA (0.48) ADAADORA2AADORA2BGAASMN1; SMN2
SCHEMBL872376 0.77 ALDH1A1 (0.36) ADORA2AADORA2BGAAALDH1A1KMT2A
SCHEMBL872480 0.76 KDM4E (0.45) ADAADORA2AGAASMN1; SMN2ALDH1A1
SCHEMBL24398322 0.76 ADA (0.47) ADAADORA2AADORA2BGAASMN1; SMN2

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 7 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-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
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 ADA 65/4885ADORA2A 1/4885ADORA2B 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.