SCHEMBL3520993

SCHEMBL3520993

CN(c1ccco1)c1c(C#N)c(N)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.42
HSD17B10 Q99714 7/20 0.42
HPGD P15428 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CASP1 P29466 1/20 0.42
BLM P54132 1/20 0.42
ADORA2A P29274 9/20 0.42
ADORA1 P30542 7/20 0.42
ADORA2B P29275 6/20 0.42
KDM4E B2RXH2 7/20 0.41
HTT P42858 3/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6478794 0.77 ADORA3 (0.47) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3529455 0.76 KDM4E (0.42) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6481655 0.73 MEN1 (0.45) ALDH1A1HPGDMEN1KMT2AADORA1
SCHEMBL6487832 0.72 ADORA3 (0.44) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL30315435 0.70 KDM4E (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6253855 0.70 KDM4E (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL6252164 0.69 KDM4E (0.60) ALDH1A1HSD17B10HPGDKMT2ACASP1
SCHEMBL3520995 0.68 KMT2A (0.54) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL3521028 0.67 KDM4E (0.56) ALDH1A1HSD17B10HPGDKMT2ACASP1
SCHEMBL31636725 0.67 KDM4E (0.56) ALDH1A1HSD17B10HPGDMEN1KMT2A

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 12 patents. 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-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
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
US-20050124648-A1 Triazolo-quinolin derivatives useful as adenosine receptor ligands SANOFI-AVENTIS (FR) 2005-06-09 US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US disclosed
EP-1456204-A1 TRIAZOLO-QUINOLIN DERIVATIVES USEFUL AS ADENOSINE RECEPTOR LIGANDS Sanofi-Aventis (FR) 2004-09-15 EP 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-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 (3 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-20080146604-A1 Triazolo-Quinolin Derivatives Useful as Adenosine Receptor Ligands ADORA3, ADORA2A, ADORA1 ALDH1A1 1230/4885HSD17B10 4310/4885HPGD 2124/4885
US-20050124648-A1 Triazolo-quinolin derivatives useful as adenosine receptor ligands ADORA3, ADORA2A, ADORA1 ALDH1A1 1419/4885HSD17B10 4474/4885HPGD 2342/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A ALDH1A1 273/4885HSD17B10 2671/4885HPGD 2380/4885

“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.