SCHEMBL124329

SCHEMBL124329

Cc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6cc(F)ccc6[nH]5)nc4)cn3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 6/20 0.50
▸ RUNX1 Q01196 2/20 0.41
▸ ACHE P22303 5/20 0.40
▸ METAP2 P50579 4/20 0.38
▸ METAP1 P53582 4/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.35
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL125214 0.93 CBFB (0.53) CBFBRUNX1METAP2METAP1NPC1
SCHEMBL125204 0.93 CBFB (0.54) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL125698 0.87 CBFB (0.48) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL126350 0.87 CBFB (0.66) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL125244 0.85 CBFB (0.64) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL125467 0.85 CBFB (0.65) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL124328 0.85 CBFB (0.65) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL124433 0.85 CBFB (0.65) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL125468 0.85 CBFB (0.52) CBFBRUNX1ACHEMETAP2METAP1
SCHEMBL179145 0.82 CBFB (0.56) CBFBRUNX1NPC1PKMRAB9A

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 6 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

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 10/4885ACHE 4855/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885ACHE 4846/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885ACHE 4846/4885

“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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