SCHEMBL125289

SCHEMBL125289

c1ccc(-c2nc3cc(N4CCCCC4)ccc3[nH]2)nc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 10/20 0.65
METAP2 P50579 9/20 0.56
METAP1 P53582 8/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
PKM P14618 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
MTOR P42345 1/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 1/20 0.56
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FGFR1 P11362 1/20 0.48
RUNX1 Q01196 1/20 0.46

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
SCHEMBL125111 0.99 CBFB (0.67) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL20350768 0.94 CBFB (0.59) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124347 0.88 CBFB (0.84) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL29808961 0.86 CBFB (0.51) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL22918502 0.86 CBFB (0.51) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL14906739 0.85 CBFB (0.72) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL14892238 0.84 CBFB (0.53) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL14892245 0.83 CBFB (0.57) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL14891706 0.83 CBFB (0.57) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL2565858 0.83 CBFB (0.76) CBFBMETAP2METAP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US 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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 US disclosed
EP-3180004-A1 CANCER THERAPEUTICS University Of Virginia Patent Foundation (US) 2017-06-21 EP 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
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 WO 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
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 (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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 CBFB 2/4885METAP2 4282/4885METAP1 3637/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885METAP2 3332/4885METAP1 2810/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885METAP2 3287/4885METAP1 2794/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 CBFB 2/4885METAP2 4282/4885METAP1 3637/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885METAP2 3287/4885METAP1 2794/4885

“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.