SCHEMBL179160

SCHEMBL179160

COc1ccnc(-c2nc3cc(C(=O)O)ccc3[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.57
CHEK2 O96017 3/20 0.51
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RUNX1 Q01196 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SPR P35270 2/20 0.46
FHIT P49789 1/20 0.45
PDE10A Q9Y233 1/20 0.45
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL179158 0.85 CBFB (0.65) CBFBNPC1RAB9ARUNX1TP53
SCHEMBL1662758 0.80 CHEK2 (0.76) CHEK2NPC1RAB9AMAPTKDM4E
SCHEMBL125632 0.80 CBFB (0.82) CBFBNPC1RAB9ARUNX1MAPT
SCHEMBL18365268 0.79 METAP2 (0.59) CHEK2NPC1RAB9ATDP1KDM4E
SCHEMBL179109 0.79 METAP2 (0.60) CBFBCHEK2NPC1RAB9ATP53
SCHEMBL125168 0.79 CBFB (0.83) CBFBNPC1RAB9ARUNX1TP53
SCHEMBL12470518 0.79 POLB (0.54) CHEK2TP53POLBMAPTTDP1
SCHEMBL7405989 0.79 F2 (0.54) NPC1RAB9AKDM4ESPRFHIT
SCHEMBL1664788 0.78 CHEK2 (0.68) CHEK2NPC1RAB9ATP53POLB
SCHEMBL828113 0.77 KDM4E (0.56) CHEK2NPC1RAB9ATDP1KDM4E

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 CBFB 3/4885CHEK2 1583/4885NPC1 1794/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885CHEK2 1479/4885NPC1 1798/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885CHEK2 1479/4885NPC1 1798/4885

“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.