SCHEMBL2321929

SCHEMBL2321929

Nc1c(N)c(N)c2cc3ccccc3cc2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HSD17B10 Q99714 7/20 0.48
CYP3A4 P08684 3/20 0.48
HIF1A Q16665 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
ALOX15 P16050 1/20 0.46
HBB P68871 1/20 0.46
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
CYP1B1 Q16678 1/20 0.43
NQO1 P15559 1/20 0.42
PDPK1 O15530 1/20 0.42
HPGD P15428 4/20 0.42
TSHR P16473 3/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 4/20 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
SCHEMBL19253219 0.95 ALDH1A1 (0.44) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL28318733 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL27909578 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL22776396 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL28163902 0.80 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL11166951 0.79 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL31554995 0.78 DHFR (0.45) ALDH1A1HSD17B10CYP3A4HIF1ACASP1
SCHEMBL30134418 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL3317872 0.78 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP3A4HIF1ATDP1
SCHEMBL28463321 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP3A4HIF1ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730902-B2 Polyamine transport inhibitors as novel therapeutics UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-08-15 US disclosed
US-9620721-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2017-04-11 US disclosed
US-20160151312-A1 POLYAMINE TRANSPORT INHIBITORS AS NOVEL THERAPEUTICS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-06-02 US disclosed
US-9212131-B2 Polyamine transport inhibitors as novel therapeutics UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-12-15 US disclosed
US-8795855-B2 OLEDs having high efficiency and excellent lifetime GLOBAL OLED TECHNOLOGY LLC (US) 2014-08-05 US disclosed
US-20140151676-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC (US) 2014-06-05 US disclosed
US-20120172449-A1 POLYAMINE TRANSPORT INHIBITORS AS NOVEL THERAPEUTICS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. 2012-07-05 US disclosed
CN-101960632-B Tandem OLED device with intermediate connector GLOBAL OLED TECHNOLOGY LLC 2012-06-27 CN disclosed
CN-101803060-B High performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2012-05-23 CN disclosed
EP-2109898-B1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC (US) 2011-08-17 EP disclosed
WO-2010148390-A2 POLYAMINE TRANSPORT INHIBITORS AS NOVEL THERAPEUTICS UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-12-23 WO disclosed
CN-101803060-A High-performance broadband OLED device GLOBAL OLED TECHNOLOGY LLC 2010-08-11 CN disclosed
EP-2109898-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME EASTMAN KODAK COMPANY (US) 2009-10-21 EP disclosed
EP-1961055-A2 ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2008-08-27 EP disclosed
WO-2008094399-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME EASTMAN KODAK COMPANY (US) 2008-08-07 WO disclosed
US-20080182129-A1 OLEDS HAVING HIGH EFFICIENCY AND EXCELLENT LIFETIME GLOBAL OLED TECHNOLOGY LLC 2008-07-31 US disclosed
WO-2007070251-A2 ELECTROLUMINESCENT DEVICE CONTAINING AN ANTHRACENE DERIVATIVE EASTMAN KODAK COMPANY (US) 2007-06-21 WO disclosed
US-20070134512-A1 Electroluminescent device containing an anthracene derivative EASTMAN KODAK COMPANY 2007-06-14 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 (2 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-20160151312-A1 POLYAMINE TRANSPORT INHIBITORS AS NOVEL THERAPEUTICS SLC19A1, SLC75A1, SLC46A1 ALDH1A1 2287/4885HSD17B10 3291/4885CYP3A4 3698/4885
US-20120172449-A1 POLYAMINE TRANSPORT INHIBITORS AS NOVEL THERAPEUTICS SLC19A1, SLC75A1, SLC46A1 ALDH1A1 2287/4885HSD17B10 3291/4885CYP3A4 3698/4885

“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.