Sugi Predict

Sugi Predict / Compounds / SCHEMBL125633

SCHEMBL125633

SCHEMBL125633

COc1cccc(-c2nc3cc(CO)ccc3[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 9/20 0.50
▸ BTK Q06187 1/20 0.45
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RUNX1 Q01196 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ UBE2N P61088 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ SLC2A1 P11166 1/20 0.36
▸ MPL P40238 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ METAP2 P50579 1/20 0.36

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
SCHEMBL124238 0.83 CBFB (0.52) CBFBNPC1RAB9AMEN1POLB
SCHEMBL179132 0.82 NPC1 (0.53) CBFBBTKFGFR1FGFR2FGFR3
SCHEMBL125170 0.81 CBFB (0.52) CBFBNPC1RAB9AMEN1POLB
SCHEMBL27868376 0.78 NPC1 (0.55) BTKFGFR1FGFR2FGFR3NPC1
SCHEMBL15779786 0.78 CBFB (0.53) CBFBNPC1RAB9AMEN1POLB
SCHEMBL27884850 0.77 NPC1 (0.54) BTKFGFR1FGFR2FGFR3NPC1
SCHEMBL125632 0.77 CBFB (0.82) CBFBFGFR1FGFR2FGFR3NPC1
SCHEMBL126324 0.77 CBFB (0.82) CBFBFGFR1FGFR2FGFR3NPC1
SCHEMBL125118 0.76 CBFB (0.80) CBFBNPC1RAB9AGAAKMT2A
SCHEMBL32660737 0.76 CBFB (0.80) CBFBNPC1RAB9AGAAKMT2A

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 7 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-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 — — 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 (4 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-20170233375-A1 CANCER THERAPEUTICS RUNX1, CBFB, MCL1 CBFB 2/4885BTK 759/4885FGFR1 826/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885BTK 2816/4885FGFR1 1077/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885BTK 2807/4885FGFR1 1016/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885BTK 2807/4885FGFR1 1016/4885

“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.