SCHEMBL3518003

SCHEMBL3518003

N#Cc1c(N)nc2ccccc2c1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
RAD52 P43351 2/20 0.65
POLB P06746 1/20 0.65
APP P05067 8/20 0.55
KDM4E B2RXH2 4/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.46
ELANE P08246 2/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 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
SCHEMBL3520995 0.82 KMT2A (0.54) KMT2APOLBKDM4EMEN1HTT
SCHEMBL3529460 0.82 KMT2A (0.50) KMT2ARAD52POLBKDM4EMEN1
SCHEMBL942090 0.82 MAPT (0.47) KMT2ARAD52POLBAPPKDM4E
SCHEMBL30315178 0.81 EGFR (0.47) KMT2ARAD52POLBAPPKDM4E
SCHEMBL940292 0.81 ACHE (0.57) KMT2APOLBMEN1ALDH1A1CYP1A2
SCHEMBL1868598 0.80 RAD52 (1.00) KMT2ARAD52POLBAPPKDM4E
SCHEMBL28609922 0.78 KMT2A (0.57) KMT2ARAD52POLBAPPKDM4E
SCHEMBL940647 0.77 HTR6 (0.56) PDE5A
SCHEMBL941557 0.77 PIK3CB (0.50) KDM4EHTTALDH1A1LMNASMN1; SMN2
SCHEMBL941565 0.76 ATM (0.47) POLBKDM4EALDH1A1LMNAMAPK1

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 KMT2A 3187/4885RAD52 2815/4885POLB 2212/4885
US-20080146604-A1 Triazolo-Quinolin Derivatives Useful as Adenosine Receptor Ligands ADORA3, ADORA2A, ADORA1 KMT2A 3874/4885RAD52 2868/4885POLB 2004/4885
US-20080255110-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS ADORA3, ADORA1, ADORA2A KMT2A 2710/4885RAD52 3160/4885POLB 2560/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A KMT2A 2739/4885RAD52 2267/4885POLB 2011/4885

“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.