SCHEMBL939983

SCHEMBL939983

CN(C)c1ccc2nc(N)c(C#N)c(O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.47
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
ADORA1 P30542 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
PIM1 P11309 2/20 0.39
APAF1 O14727 1/20 0.38
APP P05067 3/20 0.38
HTT P42858 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2A P08913 1/20 0.37
ADORA2A P29274 1/20 0.37
HPGD P15428 1/20 0.37
TERT O14746 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL939940 0.83 IKBKB (0.42) IKBKBCCNT1CDK9ADORA1PDE3B
SCHEMBL1414662 0.78 ADORA1 (0.39) IKBKBADORA1PIM1APPHTT
SCHEMBL942090 0.74 MAPT (0.47) IKBKBPIM1APPHTTALDH1A1
SCHEMBL2761804 0.74 IKBKB (0.40) IKBKBCCNT1CDK9ADORA1PIM1
SCHEMBL2761805 0.74 IKBKB (0.40) IKBKBCCNT1CDK9ADORA1PIM1
SCHEMBL31636725 0.74 KDM4E (0.56) ADORA1PIM1HTTALDH1A1HSD17B10
SCHEMBL3518114 0.74 KDM4E (0.56) ADORA1PIM1HTTALDH1A1HSD17B10
SCHEMBL939858 0.73 IKBKB (0.49) IKBKBHTTALDH1A1MEN1KMT2A
SCHEMBL940721 0.72 KDM4E (0.45) HTTALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6779214 0.72 KDM4E (0.53) ADORA1PIM1HTTALDH1A1HSD17B10

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 IKBKB 3219/4885CCNT1 2396/4885CDK9 955/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 IKBKB 3219/4885CCNT1 2396/4885CDK9 955/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B IKBKB 3423/4885CCNT1 2950/4885CDK9 2630/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B IKBKB 3415/4885CCNT1 2626/4885CDK9 1363/4885

“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.