SCHEMBL653715

SCHEMBL653715

Nc1nc(N2CCOCC2)c2cc(-c3ccc(F)cc3)sc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 2/20 0.58
HSD17B10 Q99714 2/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
PIK3CA P42336 3/20 0.51
PIK3CB P42338 3/20 0.51
HRH4 Q9H3N8 7/20 0.45
HRH3 Q9Y5N1 1/20 0.45
PRKDC P78527 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL655042 0.86 HRH4 (0.61) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL655343 0.81 HRH4 (0.64) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL655344 0.81 HRH4 (0.64) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL656484 0.78 NOS1 (0.44) KDM4EALDH1A1LMNAPIK3CAPIK3CB
SCHEMBL655170 0.78 CNR2 (0.48) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL4363831 0.77 PRKDC (0.52) KDM4EALDH1A1HPGDMAPK1LMNA
SCHEMBL653372 0.77 CNR2 (0.48) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL653833 0.77 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1HSD17B10LMNA
SCHEMBL653760 0.76 KDM4E (0.50) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL1862072 0.75 KDM4E (0.54) KDM4EALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 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
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 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-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO 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
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 KDM4E 1646/4885ALDH1A1 517/4885HPGD 3012/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 KDM4E 3714/4885ALDH1A1 548/4885HPGD 3100/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 KDM4E 1541/4885ALDH1A1 441/4885HPGD 886/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 KDM4E 4332/4885ALDH1A1 682/4885HPGD 2078/4885

“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.