SCHEMBL126325

SCHEMBL126325

COc1ccc(-c2nc3cc(N4CCCC4)ccc3[nH]2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 4/20 0.52
ABL1 P00519 2/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RUNX1 Q01196 1/20 0.43
FGFR1 P11362 4/20 0.42
FGFR2 P21802 3/20 0.42
FGFR3 P22607 3/20 0.42
KDR P35968 3/20 0.42
AURKA O14965 1/20 0.42
JAK2 O60674 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
SCHEMBL125213 0.86 CBFB (0.46) CBFBALDH1A1SMN1; SMN2RUNX1FGFR1
SCHEMBL125273 0.85 KCNH2 (0.45) CBFBNPC1RAB9AFGFR1AURKA
SCHEMBL179155 0.83 CBFB (0.63) CBFBKDM4EALDH1A1NPC1RAB9A
SCHEMBL12944362 0.82 CBFB (0.44) CBFBALDH1A1SMN1; SMN2FGFR1AURKA
SCHEMBL125111 0.77 CBFB (0.67) CBFBNPSR1KDM4ENPC1RAB9A
SCHEMBL125289 0.76 CBFB (0.65) CBFBNPSR1KDM4ENPC1RAB9A
SCHEMBL22147371 0.76 CBFB (0.43) CBFBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL126324 0.75 CBFB (0.82) CBFBKDM4EALDH1A1NPC1RAB9A
SCHEMBL179148 0.75 CBFB (0.57) CBFBKDM4EALDH1A1NPC1RAB9A
SCHEMBL18163934 0.75 PRKAG1 (0.41) ABL1PRKAG1PRKAA1PRKAB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3/4885ABL1 811/4885PRKAG1 2561/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885ABL1 744/4885PRKAG1 2639/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885ABL1 744/4885PRKAG1 2639/4885

“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.