SCHEMBL124317

SCHEMBL124317

CSc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6cc(CS)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 7/20 0.49
▸ RUNX1 Q01196 3/20 0.36
▸ PTGES O14684 1/20 0.32
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ P2RY12 Q9H244 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15780005 0.92 CBFB (0.51) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL125468 0.87 CBFB (0.52) CBFBRUNX1PTGESPDE3BPDE3A
SCHEMBL179150 0.78 CBFB (0.56) CBFBRUNX1NPC1RAB9AKDM4E
SCHEMBL125204 0.78 CBFB (0.54) CBFBRUNX1PDE3BPDE3AP2RY12
SCHEMBL179144 0.78 CBFB (0.56) CBFBRUNX1NPC1RAB9AKDM4E
SCHEMBL179145 0.78 CBFB (0.56) CBFBRUNX1NPC1RAB9AKDM4E
SCHEMBL125696 0.77 CBFB (0.68) CBFBRUNX1PTGESNPC1RAB9A
SCHEMBL124328 0.77 CBFB (0.65) CBFBRUNX1PTGESNPC1RAB9A
SCHEMBL125287 0.77 CBFB (0.68) CBFBRUNX1PTGESNPC1RAB9A
SCHEMBL125930 0.77 CBFB (0.68) CBFBRUNX1PTGESNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3/4885RUNX1 10/4885PTGES 4872/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885PTGES 4872/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885PTGES 4872/4885

“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.

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