SCHEMBL179149

SCHEMBL179149

COc1cc2nc(-c3ccccn3)[nH]c2cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
RUNX1 Q01196 1/20 0.63
CBFB Q13951 13/20 0.61
METAP2 P50579 7/20 0.61
METAP1 P53582 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
PKM P14618 4/20 0.60
LMNA P02545 3/20 0.60
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
KMT2A Q03164 1/20 0.60
HPGD P15428 3/20 0.57
TP53 P04637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL17492287 0.95 CBFB (0.64) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL179142 0.89 NPC1 (0.69) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL15780004 0.86 CBFB (0.75) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL2551987 0.81 NPC1 (0.58) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL13866537 0.79 NPC1 (0.81) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL2551982 0.78 NPC1 (0.58) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL179095 0.77 NPC1 (0.80) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL10351275 0.77 NPC1 (1.00) NPC1RAB9ARUNX1CBFBMETAP2
SCHEMBL125154 0.77 CBFB (0.93) NPC1RAB9ACBFBMETAP2METAP1
SCHEMBL125187 0.76 CBFB (1.00) NPC1RAB9ARUNX1CBFBMETAP2

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 10 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-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-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-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 NPC1 1794/4885RAB9A 4300/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885RUNX1 10/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB NPC1 1798/4885RAB9A 4308/4885RUNX1 10/4885

“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.