SCHEMBL654242

SCHEMBL654242

N#Cc1ccc(NC(=O)N2CCNCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
NAMPT P43490 5/20 0.62
PANK3 Q9H999 3/20 0.57
FAAH O00519 2/20 0.56
GOT1 P17174 1/20 0.55
CCR2 P41597 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
EPHX2 P34913 1/20 0.49
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
NLRP3 Q96P20 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL28363514 0.87 NAMPT (0.66) NAMPTPANK3FAAHGOT1CCR2
SCHEMBL14808591 0.86 NAMPT (0.64) NAMPTPANK3FAAHCCR2EPHX2
SCHEMBL15134820 0.83 NAMPT (0.65) NAMPTPANK3FAAHGOT1CCR2
SCHEMBL4391646 0.82 POLB (0.71) POLBCYP1A2CYP2D6GAAMAPT
SCHEMBL12995570 0.81 POLB (0.69) POLBCYP1A2CYP2D6GAAMAPT
SCHEMBL654537 0.81 POLB (0.69) POLBFAAHCYP1A2CYP2D6GAA
SCHEMBL2054569 0.81 KMT2A (0.71) POLBPANK3FAAHCYP1A2CYP2D6
SCHEMBL3759188 0.81 POLB (0.69) POLBCYP1A2CYP2D6GAAMAPT
SCHEMBL656477 0.81 RAB9A (0.71) POLBFAAHGOT1CYP1A2CYP2D6
SCHEMBL11925392 0.81 KMT2A (0.71) POLBCYP1A2CYP2D6HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US claimed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US claimed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP claimed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO claimed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-6960580-B2 Nitrogenous heterocyclic substituted quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1490362-A2 (HOMO)PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES Millennium Pharmaceuticals, Inc. (US) 2004-12-29 EP disclosed
US-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-01-02 US disclosed
WO-2002072578-A2 (HOMO) PIPERAZINE SUBSTITUTED QUINOLINES FOR INHIBITING THE PHOSPHORYLATION OF KINASES MILLENNIUM PHARMACEUTICALS (US) 2002-09-19 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 (5 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-20030004158-A1 Nitrogen containing heterocyclic quinoline compounds WNK2, PDGFA, PDGFRA POLB 2401/4885NAMPT 548/4885PANK3 593/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 POLB 4372/4885NAMPT 1272/4885PANK3 2552/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 POLB 1389/4885NAMPT 3716/4885PANK3 1816/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 POLB 870/4885NAMPT 2950/4885PANK3 2159/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 POLB 1180/4885NAMPT 2273/4885PANK3 1205/4885

“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.