SCHEMBL940756

SCHEMBL940756

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccc([N+](=O)[O-])c(N)c3c(Cc3cccs3)c2C#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 8/20 0.35
LMNA P02545 6/20 0.35
TP53 P04637 3/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KMT2A Q03164 7/20 0.34
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 5/20 0.34
MAPK1 P28482 3/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BMP1 P13497 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
CASP3 P42574 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34

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
SCHEMBL940755 0.75 KMT2A (0.40) MAPTLMNATP53KMT2AALDH1A1
SCHEMBL5231317 0.72 ABCG2 (0.38) MAPTLMNATP53POLBL3MBTL1
SCHEMBL5462036 0.70 KMT2A (0.48) ADORA3MAPTLMNATP53POLB
SCHEMBL939939 0.69 MAPT (0.41) MAPTLMNATP53POLBL3MBTL1
SCHEMBL6489955 0.66 ADORA3 (0.44) ADORA3MAPTLMNAL3MBTL1KMT2A
SCHEMBL940661 0.66 MAPT (0.45) MAPTLMNAL3MBTL1KMT2AALDH1A1
SCHEMBL939938 0.65 KMT2A (0.37) ADORA3MAPTLMNATP53POLB
SCHEMBL939986 0.62 THRB (0.44) MAPTLMNATP53L3MBTL1KMT2A
SCHEMBL5460979 0.61 ADORA3 (0.46) ADORA3MAPTLMNATP53POLB
SCHEMBL5462040 0.60 ADORA3 (0.42) ADORA3MAPTLMNAPOLBKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 US disclosed
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2009-10-01 US disclosed
US-7547696-B2 Such as 4-methoxy-N-[6-(morpholin-4-yl)-4-benzylamino-3-cyanoquinolin-2-yl]-benzamide; improved solubility SANOFI-AVENTIS (FR) 2009-06-16 US disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US 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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 ADORA3 1/4885MAPT 1043/4885LMNA 1348/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885MAPT 1043/4885LMNA 1348/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA3 1/4885MAPT 4773/4885LMNA 2795/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA3 1/4885MAPT 4709/4885LMNA 2480/4885

“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.