SCHEMBL125825

SCHEMBL125825

O=COc1ccc2[nH]c(-c3ccccn3)nc2c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 12/20 0.81
▸ NPC1 O15118 6/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ PKM P14618 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ METAP2 P50579 7/20 0.57
▸ METAP1 P53582 7/20 0.57
▸ HPGD P15428 2/20 0.57
▸ MTOR P42345 1/20 0.57
▸ RUNX1 Q01196 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL179095 0.83 NPC1 (0.80) CBFBNPC1RAB9APKMLMNA
SCHEMBL125123 0.82 CBFB (0.63) CBFBNPC1RAB9APKMLMNA
Hydrochloric Acid SCHEMBL20659617 0.82 NPC1 (0.78) CBFBNPC1RAB9APKMLMNA
SCHEMBL125168 0.81 CBFB (0.83) CBFBNPC1RAB9APKMLMNA
SCHEMBL124377 0.81 CBFB (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL4244107 0.80 METAP2 (0.61) CBFBNPC1RAB9APKMLMNA
SCHEMBL179143 0.80 CBFB (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL125117 0.80 CBFB (0.81) CBFBNPC1RAB9APKMLMNA
SCHEMBL13866553 0.78 NPC1 (0.74) CBFBNPC1RAB9APKMLMNA
SCHEMBL7569217 0.77 ALDH1A1 (0.51) CBFBNPC1RAB9APKMSMN1; SMN2

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 3/4885NPC1 1794/4885RAB9A 4300/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885NPC1 1798/4885RAB9A 4308/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885NPC1 1798/4885RAB9A 4308/4885

“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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