SCHEMBL125159

SCHEMBL125159

CS(=O)(=O)c1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 8/20 0.81
SCD O00767 2/20 0.67
METAP2 P50579 7/20 0.59
METAP1 P53582 6/20 0.59
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
PKM P14618 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
MTOR P42345 1/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 3/20 0.58
KMT2A Q03164 1/20 0.58
NPBWR1 P48145 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
RUNX1 Q01196 1/20 0.51

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
SCHEMBL12568424 0.81 NPBWR1 (0.79) SCDNPBWR1
SCHEMBL124267 0.79 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL30692549 0.79 CBFB (0.78) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL6925468 0.79 CBFB (0.53) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL6928046 0.79 CBFB (0.53) CBFBSCDMETAP2METAP1NPC1
SCHEMBL6927147 0.79 CBFB (0.53) CBFBSCDMETAP2METAP1NPC1
SCHEMBL6927127 0.79 CBFB (0.53) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13866553 0.79 NPC1 (0.74) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL12568427 0.78 SCD (0.71) SCDNPC1RAB9AKMT2ANPBWR1
SCHEMBL12786136 0.78 GCK (0.67) CBFBNPC1RAB9APKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670509-B1 INHIBITORS OF INV(16) LEUKEMIA UNIV VIRGINIA PATENT FOUNDATION (US) 2023-04-19 EP disclosed
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 US disclosed
US-9926290-B2 Inhibitors of INV(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2018-03-27 US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 US disclosed
US-9221764-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-12-29 US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 US disclosed
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-08-28 US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 US disclosed
US-8748618-B2 Inhibitors of inv(16) leukemia UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-06-10 US disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 US disclosed
WO-2010132684-A9 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-01-06 WO disclosed
WO-2010132684-A2 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-11-18 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 (3 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-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885SCD 3957/4885METAP2 3332/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885SCD 3889/4885METAP2 3287/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885SCD 3889/4885METAP2 3287/4885

“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.