SCHEMBL243787

SCHEMBL243787

Nc1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
SOS2 Q07890 1/20 0.47
NCF1 P14598 1/20 0.44
PDE5A O76074 1/20 0.40
EGFR P00533 3/20 0.39
FGFR1 P11362 3/20 0.38
SRC P12931 3/20 0.38
ABL1 P00519 2/20 0.38
PDGFRB P09619 2/20 0.38
KDR P35968 2/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
ACHE P22303 1/20 0.37
EHMT2 Q96KQ7 1/20 0.36
EHMT1 Q9H9B1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MPO P05164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PLG P00747 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
SCHEMBL238581 0.80 MAPK9 (0.43) NCF1ALDH1A1LMNAMAPTHPGD
SCHEMBL4989870 0.79 CYP3A4 (0.41) PDE5AEGFRFGFR1SRCABL1
SCHEMBL29576688 0.79 LMNA (0.44) NR4A2SOS2PDE5AEGFRFGFR1
SCHEMBL241568 0.79 LMNA (0.44) NR4A2SOS2PDE5AEGFRFGFR1
SCHEMBL12978384 0.79 ALDH1A1 (0.43) PDE5AEGFRFGFR1SRCABL1
SCHEMBL11772709 0.79 EGFR (0.45) PDE5AEGFRFGFR1SRCABL1
SCHEMBL11769755 0.79 PDE5A (0.40) PDE5AEGFRFGFR1SRCABL1
SCHEMBL12978382 0.75 CCR1 (0.44) PDE5AEGFRFGFR1SRCABL1
SCHEMBL13163277 0.73 LMNA (0.49) KDM4EALDH1A1POLBLMNAMAPT
SCHEMBL4986913 0.73 HASPIN (0.46) PDE5AEGFRFGFR1SRCABL1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371259-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-12-18 US claimed
WO-2013116228-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/ REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-08-08 WO claimed
US-9624235-B2 Compounds and methods for inhibition of AP endonuclease-1/redox factor-1 (HAPE1) activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-04-18 US disclosed
US-9624235-B2 Compounds and methods for inhibition of AP endonuclease-1/redox factor-1 (HAPE1) activity University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-04-18 US disclosed
US-20140371259-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-12-18 US disclosed
US-20140371259-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-12-18 US disclosed
EP-2809672-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS Pharmacyclics, Inc. (US) 2014-12-10 EP disclosed
WO-2013116228-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/ REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-08-08 WO disclosed
WO-2013116228-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/ REDOX FACTOR-1 (HAPE1) ACTIVITY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-08-08 WO disclosed
WO-2013116382-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-08-08 WO disclosed
US-8389721-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-03-05 US disclosed
EP-1465625-B1 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2010-02-03 EP disclosed
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-09-24 US disclosed
US-7517883-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-04-14 US disclosed
US-7049315-B2 Solubilized topoisomerase poisons RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-05-23 US disclosed
US-20060052381-A1 Solubilized topoisomerase poisons LAVOIE EDMOND J 2006-03-09 US disclosed
EP-1465625-A4 SOLUBILIZED TOPOISOMERASE POISONS UNIV RUTGERS (US) 2005-06-08 EP disclosed
US-20050009824-A1 Solubilized topoisomerase poisons RUTGERS, STATE UNIVERSITY OF NEW JERSEY, THE 2005-01-13 US disclosed
EP-1465625-A2 SOLUBILIZED TOPOISOMERASE POISONS Rutgers, The State University (US) 2004-10-13 EP disclosed
WO-2003041660-A2 SOLUBILIZED TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY (US) 2003-05-22 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-20050009824-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B NR4A2 4259/4885SOS2 4476/4885NCF1 2138/4885
US-20090239871-A1 SOLUBILIZED TOPOISOMERASE POISONS TOP1, TOP2A, TOP2B NR4A2 4259/4885SOS2 4476/4885NCF1 2138/4885
US-20140371259-A1 COMPOUNDS AND METHODS FOR INHIBITION OF AP ENDONUCLEASE-1/REDOX FACTOR-1 (HAPE1) ACTIVITY APEX1, NFE2, FEN1 NR4A2 1015/4885SOS2 2718/4885NCF1 73/4885
US-20060052381-A1 Solubilized topoisomerase poisons TOP1, TOP2A, TOP2B NR4A2 4259/4885SOS2 4476/4885NCF1 2138/4885

“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.