SCHEMBL653766

SCHEMBL653766

Nc1nc(O)c(NC(=O)c2ccccc2)c(O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
PLAU P00749 1/20 0.46
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
F2 P00734 1/20 0.45
F12 P00748 1/20 0.45
ADORA2A P29274 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
BCAT2 O15382 1/20 0.45
KCNK3 O14649 1/20 0.44

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
SCHEMBL5025278 0.92 KMT2A (0.47) KMT2AMEN1MAPK1HDAC3HDAC1
SCHEMBL654734 0.83 RXFP1 (0.54) KMT2AMEN1MAPK1LMNAADORA3
SCHEMBL654818 0.83 MITF (0.50) KMT2AMEN1HDAC1F2NPC1
SCHEMBL654385 0.83 HDAC1 (0.57) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL5026848 0.82 KMT2A (0.47) KMT2AMEN1MAPK1HDAC3HDAC1
SCHEMBL652040 0.80 NPC1 (0.55) KMT2AMEN1HDAC3HDAC1HDAC2
SCHEMBL9564262 0.79 ADORA1 (0.60) KMT2AMEN1MAPK1HDAC3HDAC1
SCHEMBL654352 0.78 TSHR (0.63) KMT2AMEN1MAPK1LMNASMN1; SMN2
SCHEMBL10083761 0.77 ADORA1 (0.54) KMT2AMEN1MAPK1HDAC3HDAC1
SCHEMBL653289 0.76 MEN1 (0.54) KMT2AMEN1NPC1RAB9ABCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP 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 (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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 KMT2A 3592/4885MEN1 2449/4885MAPK1 2605/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 KMT2A 3592/4885MEN1 2449/4885MAPK1 2605/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 KMT2A 4258/4885MEN1 2650/4885MAPK1 2002/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 KMT2A 1693/4885MEN1 531/4885MAPK1 1428/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 KMT2A 3465/4885MEN1 2263/4885MAPK1 1767/4885

“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.