SCHEMBL2520262

SCHEMBL2520262

O=c1[nH]c(=O)c2ncn(C3CCCC3)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 8/20 0.52
ALDH1A1 P00352 4/20 0.52
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
PDE5A O76074 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
CNOT7 Q9UIV1 1/20 0.42
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41

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
SCHEMBL10441215 0.81 HCAR1 (0.47) HCAR1ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL7355651 0.77 CYP11B2 (0.51) HCAR1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7295703 0.75 PNP (0.44) GRIA1GRIA2GRIA3GRIA4PDE1A
SCHEMBL7295598 0.74 PNP (0.44) ALDH1A1KDM4EHSD17B10PDE1APDE1B
SCHEMBL8770669 0.74 PDE5A (0.34) HCAR1ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL2352519 0.72 PNP (0.43) ALDH1A1KMT2AMEN1KDM4ERAB9A
SCHEMBL10378836 0.72 ALDH1A1 (0.61) ALDH1A1
SCHEMBL7296241 0.72 PNP (0.44) PDE1APDE1BPDE1C
SCHEMBL7431961 0.72 GRIA1 (0.62) HCAR1ALDH1A1GRIA1GRIA2GRIA3
SCHEMBL7430898 0.72 GRIA1 (0.62) HCAR1ALDH1A1GRIA1GRIA2GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148256-A1 BIOLUMINESCENCE IMAGING-BASED SCREENING ASSAY AND INHIBITORS OF ABCG2 THE JOHNS HOPKINS UNIVERSITY (US) 2015-05-28 US disclosed
US-20110250129-A1 BIOLUMINESCENCE IMAGING-BASED SCREENING ASSAY AND INHIBITORS OF ABCG2 THE JOHNS HOPKINS UNIVERSITY (US) 2011-10-13 US disclosed
US-6680052-B1 Methods of inhibiting tumor growth using adenosine receptor activated cells ENDACEA, INC. 2004-01-20 US disclosed
EP-1368365-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 EP disclosed
EP-1368364-A1 C2, 8-DISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 EP disclosed
WO-2002070532-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 WO disclosed
WO-2002070534-A1 C2, 8-DISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 WO disclosed
EP-1043928-A4 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING TUMORS USING ADENOSINE RECEPTOR ACTIVATED CELLS LINK TECHNOLOGY INC (US) 2001-01-17 EP disclosed
US-6159701-A Method and compositions for treating and diagnosing tumors using adenosine receptor activated cells LINK TECHNOLOGY INCORPORATED (US) 2000-12-12 US disclosed
EP-1043928-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING TUMORS USING ADENOSINE RECEPTOR ACTIVATED CELLS Link Technology, Inc. (US) 2000-10-18 EP disclosed
US-6074842-A AMINO ACID AND NUCLEOTIDE SEQUENCES OF HUMAN PROTEIN USEFUL AS MARKERS TO DISTINGUISH ADIPOCYTES FROM NON-ADIPOCYTE, PATHOPHYSIOLOGICALLY LIPID-LADEN CELLS; FOR PROBES AND ANTIBODIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2000-06-13 US disclosed
EP-0814810-A4 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIV MASSACHUSETTS MEDICAL (US) 1999-06-09 EP disclosed
WO-1998019541-A1 METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING TUMORS USING ADENOSINE RECEPTOR ACTIVATED CELLS LINK TECHNOLOGY, INC. (US) 1998-05-14 WO disclosed
EP-0814810-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1998-01-07 EP disclosed
US-5585462-A Cloning of perilipin proteins UNITED STATES OF AMERICA (US) 1996-12-17 US disclosed
WO-1996028163-A1 ADENOSINE AS A POSITIVE INOTROP IN THE COMPROMISED HEART UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-09-19 WO disclosed
US-5498605-A ANTIISCHEMIC AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-03-12 US disclosed
WO-1994002497-A1 SULFO-DERIVATIVES OF ADENOSINE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-03 WO disclosed
WO-1992022638-A1 PERILIPIN THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1992-12-23 WO disclosed