SCHEMBL872452

SCHEMBL872452

Nc1nc(NNC(=O)c2ccco2)c2c(n1)n(CCO)c(=O)n2C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.42
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPI P09923 1/20 0.36
RAB9A P51151 2/20 0.35
PIK3CA P42336 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MTOR P42345 1/20 0.35
PLD2 O14939 1/20 0.35
PLD1 Q13393 1/20 0.35
ADORA2A P29274 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADORA2B P29275 1/20 0.33

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
SCHEMBL15261839 0.88 ADA (0.42) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL872184 0.86 ADA (0.46) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL15261376 0.85 ADA (0.47) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL10258583 0.83 ADA (0.42) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL881892 0.83 ADA (0.47) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL15261779 0.83 ADA (0.44) ADAALDH1A1SMN1; SMN2ALPIRAB9A
SCHEMBL876961 0.77 EEF2K (0.34) PIK3CAMTOR
SCHEMBL28805232 0.73 PIK3CA (0.35) PIK3CAMTOR
SCHEMBL8285072 0.73 ADA (0.58) ADAALDH1A1SMN1; SMN2ALPIADORA2A
SCHEMBL874071 0.71 EEF2K (0.36) PIK3CAMTOR

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
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 ADA 65/4885ALDH1A1 2343/4885SMN1; 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.