SCHEMBL3521028

SCHEMBL3521028

N#Cc1c(N)nc2ccccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 9/20 0.56
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
ADORA2A P29274 9/20 0.46
HSD17B10 Q99714 7/20 0.46
ADRA2A P08913 3/20 0.46
HTT P42858 2/20 0.46
ADORA1 P30542 5/20 0.46
GAA P10253 3/20 0.45
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GLA P06280 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL31636611 1.00 KDM4E (0.56) KDM4EALDH1A1MAOAMAOBADORA2A
SCHEMBL6252164 0.82 KDM4E (0.60) KDM4EALDH1A1MAOAADORA2AHSD17B10
SCHEMBL29799045 0.82 ALDH1A1 (0.60) KDM4EALDH1A1MAOAMAOBHSD17B10
SCHEMBL1163209 0.82 ALDH1A1 (0.60) KDM4EALDH1A1MAOAMAOBHSD17B10
SCHEMBL4436700 0.81 ADORA2A (0.60) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6072338 0.80 KDM4E (0.62) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6222369 0.80 ADORA2A (0.57) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL6253855 0.79 KDM4E (0.56) KDM4EALDH1A1ADORA2AHSD17B10ADRA2A
SCHEMBL14438249 0.79 ALDH1A1 (0.56) KDM4EALDH1A1MAOAMAOBADORA2A
SCHEMBL3518114 0.79 KDM4E (0.56) KDM4EALDH1A1MAOAADORA2AHSD17B10

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 EP disclosed
US-7713992-B2 Triazolo-quinolin derivatives useful as adenosine receptor ligands SANOFI-AVENTIS (FR) 2010-05-11 US disclosed
US-7709489-B2 Imidazoquinoline derivatives as adenosine A3 receptor ligands SANOFI-AVENTIS (FR) 2010-05-04 US disclosed
US-20080255110-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-10-16 US disclosed
US-7419977-B2 Imidazoquinoline derivatives as adenosine A3 receptor ligands SANOFI-AVENTIS (FR) 2008-09-02 US disclosed
US-20080146604-A1 Triazolo-Quinolin Derivatives Useful as Adenosine Receptor Ligands SANOFI-AVENTIS (FR) 2008-06-19 US disclosed
US-7365089-B2 Triazolo-quinolin derivatives useful as adenosine receptor ligands SANOFI-AVENTIS (FR) 2008-04-29 US disclosed
EP-1560828-B9 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2007-02-14 EP disclosed
US-7176213-B2 Imidazoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2007-02-13 US disclosed
EP-1560828-B1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2006-05-03 EP disclosed
US-20050070566-A1 Imidazoquinoline derivatives SANOFI-AVENTIS (FR) 2005-03-31 US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US disclosed
EP-1456205-A1 IMIDAZOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2004-09-15 EP disclosed
EP-1456204-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS Sanofi-Aventis (FR) 2004-09-15 EP disclosed
WO-2004046146-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2004-06-03 WO disclosed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 EP disclosed
WO-2002096879-A9 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SYNTHELABO (FR) 2003-11-20 WO disclosed
WO-2003053969-A1 IMIDAZOQUINOLINE DERIVATIVES SANOFI-SYNTHELABO (FR) 2003-07-03 WO disclosed
WO-2003053968-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2003-07-03 WO disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 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 (4 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-20050070566-A1 Imidazoquinoline derivatives ADORA3, ADORA2A, ADORA1 KDM4E 4582/4885ALDH1A1 520/4885MAOA 716/4885
US-20080146604-A1 Triazolo-Quinolin Derivatives Useful as Adenosine Receptor Ligands ADORA3, ADORA2A, ADORA1 KDM4E 4724/4885ALDH1A1 1230/4885MAOA 426/4885
US-20080255110-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS ADORA3, ADORA1, ADORA2A KDM4E 3568/4885ALDH1A1 1596/4885MAOA 1186/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A KDM4E 3224/4885ALDH1A1 273/4885MAOA 979/4885

“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.