SCHEMBL653903

SCHEMBL653903

Nc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2nc(-c3ccc(F)cc3)[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.51
ABL1 P00519 2/20 0.48
BCR P11274 2/20 0.48
SLC6A7 Q99884 3/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
SMO Q99835 2/20 0.42
KIT P10721 3/20 0.42
L3MBTL1 Q9Y468 1/20 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
SCHEMBL793999 0.88 ALDH1A1 (0.48) HSP90AA1ABL1BCRSLC6A7HSD17B10
SCHEMBL652590 0.85 HRH4 (0.47) MEN1KMT2AHRH4
SCHEMBL654247 0.84 HRH4 (0.48) HRH4KIT
SCHEMBL655731 0.84 PI4KB (0.59) MEN1KMT2AKITL3MBTL1
SCHEMBL654776 0.82 ALDH1A1 (0.51) ABL1BCRKMT2AHSD11B1SMO
SCHEMBL654042 0.81 PI4KB (0.56) MEN1KMT2AHRH4KITL3MBTL1
SCHEMBL653419 0.81 USP2 (0.48) HSD17B10HRH4SMOKIT
SCHEMBL1693919 0.80 ABL1 (0.44) ABL1BCRHSD17B10MGLLHSD11B1
SCHEMBL654788 0.79 HRH4 (0.51) HRH4
SCHEMBL653942 0.79 PI4KB (0.64) MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2923734-B1 PURINE ANALOGUES AND THEIR USE AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2018-01-10 EP claimed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US claimed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US claimed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP claimed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 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
EP-2923734-B1 PURINE ANALOGUES AND THEIR USE AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US 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 HSP90AA1 4025/4885ABL1 1798/4885BCR 3747/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HSP90AA1 4025/4885ABL1 1798/4885BCR 3747/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HSP90AA1 1015/4885ABL1 2183/4885BCR 3763/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HSP90AA1 4238/4885ABL1 577/4885BCR 148/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 HSP90AA1 500/4885ABL1 1956/4885BCR 3965/4885

“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.