SCHEMBL4145422

SCHEMBL4145422

O=[N+]([O-])c1ccc(CCN2CCOCC2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
SIGMAR1 Q99720 1/20 0.52
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ABCC1 P33527 2/20 0.50
CYP3A4 P08684 1/20 0.50
KCNJ1 P48048 5/20 0.49
KCNH2 Q12809 3/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL29710198 0.86 ALDH1A1 (0.59) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL6609562 0.86 ALDH1A1 (0.59) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL31129967 0.82 POLB (0.56) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL13270618 0.81 HTR1A (0.54) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL20598130 0.80 ALDH1A1 (0.62) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL30501347 0.80 ALDH1A1 (0.62) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL18159075 0.79 KMT2A (0.53) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL30402766 0.79 KDM4E (0.67) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL572541 0.79 KDM4E (0.67) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL27892521 0.79 LMNA (0.55) POLBMEN1KMT2AHTR1ADRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 US disclosed
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 US disclosed
US-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2009-04-09 US disclosed
EP-1973916-A1 PYRROLO Ýl,2-A¨QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF Faust Pharmaceuticals (FR) 2008-10-01 EP disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 WO disclosed
WO-2007071379-A1 PYRROLO [l,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2007-06-28 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-20090093476-A1 PYRROLO[1,2-A]QUINOXALINE DERIVATIVES AS ADENOSINE A3 RECEPTOR MODULATORS AND USES THEREOF ADORA3, ADORA2A, ADORA1 POLB 1564/4885MEN1 3728/4885KMT2A 3312/4885

“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.