SCHEMBL179154

SCHEMBL179154

COc1c(F)cc2[nH]c(-c3ccccn3)nc2c1F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 14/20 0.72
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
RUNX1 Q01196 2/20 0.52
METAP2 P50579 5/20 0.49
METAP1 P53582 5/20 0.49
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 3/20 0.46
LMNA P02545 2/20 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
SCHEMBL124333 0.84 CBFB (1.00) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL124222 0.78 CBFB (1.00) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL124228 0.73 CBFB (1.00) CBFBSMN1; SMN2HPGDTP53NPC1
SCHEMBL17525994 0.72 CBFB (0.42) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL125229 0.72 CBFB (1.00) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL25145069 0.71 CBFB (0.79) CBFBSMN1; SMN2HPGDTP53NPC1
SCHEMBL15780002 0.70 CBFB (0.69) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL17525999 0.70 CBFB (0.40) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL179142 0.69 NPC1 (0.69) CBFBSMN1; SMN2HPGDALDH1A1TP53
SCHEMBL15780001 0.69 CBFB (0.75) CBFBSMN1; SMN2HPGDALDH1A1TP53

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 3/4885SMN1; SMN2 872/4885HPGD 4247/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885SMN1; SMN2 760/4885HPGD 4267/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885SMN1; SMN2 760/4885HPGD 4267/4885

“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.