SCHEMBL940292

SCHEMBL940292

N#Cc1c(N)nc2ccc([N+](=O)[O-])cc2c1NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.57
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
PDE5A O76074 4/20 0.48
EGFR P00533 1/20 0.48
PIN1 Q13526 1/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CRHBP P24387 1/20 0.46
CYP2C19 P33261 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
GAA P10253 1/20 0.44
BCHE P06276 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
SCHEMBL941132 0.85 ACHE (0.41) ACHEMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3518003 0.81 KMT2A (0.65) MEN1KMT2APDE5AMAPTCYP1A2
SCHEMBL942090 0.79 MAPT (0.47) ACHEMEN1KMT2AMAPTCYP1A2
SCHEMBL940754 0.77 ACHE (0.47) ACHEMEN1KMT2AMAPTCYP3A4
SCHEMBL939858 0.77 IKBKB (0.49) ACHEMEN1KMT2AMAPTCYP3A4
SCHEMBL5784594 0.76 EGFR (0.49) ACHEMEN1KMT2APDE5AEGFR
SCHEMBL940661 0.75 MAPT (0.45) ACHEMEN1KMT2APDE5AEGFR
SCHEMBL940647 0.74 HTR6 (0.56) PDE5A
SCHEMBL941557 0.74 PIK3CB (0.50) PDE5AMAPTCRHBPCRHR2ALDH1A1
SCHEMBL941565 0.74 ATM (0.47) ACHEMAPTALDH1A1POLBGAA

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 10 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
EP-1663982-B1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI AVENTIS (FR) 2007-11-21 EP disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 US disclosed
EP-1663982-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2006-06-07 EP disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2005-02-03 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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 ACHE 490/4885MEN1 1883/4885KMT2A 3269/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ACHE 490/4885MEN1 1883/4885KMT2A 3269/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ACHE 3682/4885MEN1 3756/4885KMT2A 3104/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ACHE 2160/4885MEN1 3735/4885KMT2A 2629/4885

“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.