SCHEMBL4137972

SCHEMBL4137972

COC(=O)c1c(-c2ccc(OC)cc2)ccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 5/20 0.43
HPGD P15428 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
MAPT P10636 5/20 0.41
NPC1 O15118 4/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4153261 0.78 ALDH1A1 (0.42) SMN1; SMN2RAB9AHPGDMAPTKMT2A
SCHEMBL13872428 0.77 SMN1; SMN2 (0.45) HTR7SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL2961408 0.73 ALDH1A1 (0.65) HTR7SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL8072110 0.71 ALDH1A1 (0.44) SMN1; SMN2HPGDMAPTKMT2ALMNA
SCHEMBL6923951 0.70 MAOB (0.47) SMN1; SMN2RAB9AMAPTNPC1KMT2A
SCHEMBL31454232 0.70 FGFR1 (0.41) RAB9AGABRA1GABRG2GABRB3GABRA5
SCHEMBL5651714 0.68 ALDH1A1 (0.57) SMN1; SMN2MAPTKMT2AALDH1A1PTPN1
SCHEMBL3490759 0.68 HSP90AA1 (0.50) HTR7SMN1; SMN2RAB9AHPGDMAPT
SCHEMBL6298933 0.68 KMT2A (0.51) SMN1; SMN2HPGDMAPTKMT2ALMNA
SCHEMBL498267 0.67 KDM4E (0.54) SMN1; SMN2RAB9AHPGDMAPTNPC1

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 4 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
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
EP-1798233-A1 Pyrrolo[1,2-a]quinoxaline derivatives as Adenosine A3 receptor modulators and uses thereof Faust Pharmaceuticals (FR) 2007-06-20 EP 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 HTR7 379/4885SMN1; SMN2 4266/4885RAB9A 1523/4885

“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.