SCHEMBL5224155

SCHEMBL5224155

N#Cc1c(N(C(=O)c2ccco2)C(=O)c2ccco2)nc2ccccc2c1NCc1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 9/20 0.43
KDM4E B2RXH2 7/20 0.43
MAPT P10636 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
HIF1A Q16665 1/20 0.42
PDE5A O76074 1/20 0.41
REN P00797 1/20 0.41
MAPK1 P28482 4/20 0.41
HSD17B10 Q99714 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 4/20 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
SCHEMBL6494390 0.86 MEN1 (0.41) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5223996 0.85 MEN1 (0.47) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6478801 0.82 ADORA3 (0.49) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL3520995 0.77 KMT2A (0.54) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5224357 0.77 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6625684 0.76 MEN1 (0.45) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6491520 0.76 KMT2A (0.46) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6478489 0.74 LMNA (0.45) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL5460979 0.74 ADORA3 (0.46) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL6480798 0.74 ALDH1A1 (0.48) KMT2AMEN1LMNAHTTALDH1A1

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 8 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-20070249669-A1 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-10-25 US disclosed
EP-1740580-A2 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES , PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2007-01-10 EP disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 US disclosed
WO-2005100320-A2 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-AVENTIS (FR) 2005-10-27 WO disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 US 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-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 (2 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-20070249669-A1 CRYSTALLINE 2-AMINO-3-CYANOQUINOLINE DERIVATIVES, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SFPQ, ADRB3, KCNQ3 KMT2A 2114/4885MEN1 907/4885LMNA 953/4885
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A KMT2A 2739/4885MEN1 3078/4885LMNA 2918/4885

“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.