SCHEMBL5021633

SCHEMBL5021633

CC(C)(C)n1c(N)nc2[nH]cnc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
PNP P00491 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
PIK3CD O00329 1/20 0.31
ALPL P05186 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL5664356 0.79 PDE4A (0.33) ADORA2AADORA2BADORA3PDE4APDE4B
SCHEMBL20866 0.79 ATAD2 (0.41) PNPATAD2LMNACYP1A2MAPT
SCHEMBL9705280 0.79 PARP1 (0.36) PARP1PNPADORA2BADORA3PDE4A
SCHEMBL8886026 0.77 PNP (0.35) PARP1PNPATAD2LMNACYP1A2
SCHEMBL3259641 0.77 PNP (0.35) PARP1PNPATAD2LMNACYP1A2
SCHEMBL8864931 0.76 CDK1 (0.32) PARP1LMNACYP1A2MAPTADORA2A
SCHEMBL10597939 0.76 PNP (0.33) PARP1PNPATAD2LMNACYP1A2
SCHEMBL20576 0.76 PNP (0.34) PARP1PNPATAD2LMNACYP1A2
SCHEMBL2051359 0.76 PNP (0.34) PARP1PNPATAD2LMNACYP1A2
SCHEMBL2983845 0.76 PNP (0.34) PARP1PNPATAD2LMNACYP1A2

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-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed
US-7935131-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2011-05-03 US disclosed
US-20080177303-A1 Shape memory polymers ROCHESTER, UNIVERSITY OF 2008-07-24 US disclosed
US-7268214-B2 Membrane translocating peptide drug delivery system MERRION RESEARCH I LIMITED (IE) 2007-09-11 US disclosed
US-20070172516-A1 Increasing of the resorption of substances via skin and mucous membranes PROCOM BIOTECHNOLOGISCHE PRODUKTIONS GMBH (DE) 2007-07-26 US disclosed
EP-1534315-A2 INCREASING OF THE RESORPTION OF SUBSTANCES VIA SKIN AND MUCOUS MEMBRANES PROCOM BIOTECHNOLOGISCHE PRODUKTION GMBH (DE) 2005-06-01 EP disclosed
US-6780846-B1 WHICH ENHANCE UPTAKE OF A PHARMACEUTICALLY ACTIVE AGENT INTO A CELL, INTO OR OUT OF AN INTRACELLULAR COMPARTMENT, AND ACROSS A CELL LAYER ELAN CORPORATION, PLC (IE) 2004-08-24 US disclosed
US-20040138132-A1 Membrane translocating peptide drug delivery system MERRION RESEARCH III LIMITED (IE) 2004-07-15 US disclosed
WO-2004022657-A2 INCREASING OF THE RESORPTION OF SUBSTANCES VIA SKIN AND MUCOUS MEMBRANES PROCOM BIOTECHNOLOGISCHE PRODUKTIONS GMBH (DE) 2004-03-18 WO disclosed