SCHEMBL872480

SCHEMBL872480

COc1ccc(Cn2c(=O)n(C)c3c(NNC(=O)c4ccco4)nc(N)nc32)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
HTT P42858 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 1/20 0.45
ADA P00813 5/20 0.45
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL872184 0.83 ADA (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL872083 0.81 PDE5A (0.45) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL27932435 0.76 ADORA2A (0.42) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL881892 0.76 ADA (0.47) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL872739 0.76 PDE5A (0.47) KDM4EALDH1A1MAPTGAAKMT2A
SCHEMBL15261376 0.75 ADA (0.47) KDM4EALDH1A1KMT2AHTTMEN1
SCHEMBL10258583 0.73 ADA (0.42) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL15277465 0.72 ADORA2A (0.60) ADORA2A
SCHEMBL15261779 0.71 ADA (0.44) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL15261839 0.71 ADA (0.42) ALDH1A1ADASMN1; SMN2ADORA2ARAB9A

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 8 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
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 KDM4E 4233/4885ALDH1A1 2343/4885MAPT 124/4885

“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.