SCHEMBL179108

SCHEMBL179108

COc1ccc2[nH]c(-c3ncccc3OC)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 2/20 0.60
▸ PDE2A O00408 1/20 0.52
▸ RUNX1 Q01196 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ PDE10A Q9Y233 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ AURKA O14965 4/20 0.45
▸ PKM P14618 1/20 0.45
▸ ITK Q08881 2/20 0.44
▸ PDE5A O76074 2/20 0.44

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
SCHEMBL17525962 0.88 RUNX1 (0.62) CBFBPDE2ARUNX1RAB9ANPC1
SCHEMBL13064018 0.83 CBFB (0.56) CBFBPDE2ARUNX1PDE10AALDH1A1
SCHEMBL179099 0.83 TRPV1 (0.52) CBFBPDE2ARUNX1RAB9ANPC1
SCHEMBL125165 0.83 CBFB (0.83) CBFBPDE2ARUNX1PDE10AALDH1A1
SCHEMBL1170729 0.80 ALDH1A1 (0.57) RUNX1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL179095 0.78 NPC1 (0.80) CBFBRUNX1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL20659617 0.77 NPC1 (0.78) CBFBRUNX1RAB9ANPC1ALDH1A1
SCHEMBL4496832 0.76 NPC1 (0.57) RUNX1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL8108604 0.76 NPC1 (0.69) RUNX1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL179158 0.75 CBFB (0.65) CBFBRUNX1RAB9ANPC1ALDH1A1

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 15 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-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 — — EP disclosed
EP-3670509-A1 INHIBITORS OF INV(16) LEUKEMIA The University of Virginia Patent Foundation (US) 2020-06-24 — — EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 — — US disclosed
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
EP-3180004-A1 CANCER THERAPEUTICS University Of Virginia Patent Foundation (US) 2017-06-21 — — EP disclosed
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2016-04-07 — — US disclosed
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 — — WO 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 (5 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 2/4885PDE2A 4078/4885RUNX1 1/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE2A 4557/4885RUNX1 10/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE2A 4544/4885RUNX1 10/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 CBFB 2/4885PDE2A 4078/4885RUNX1 1/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885PDE2A 4544/4885RUNX1 10/4885

“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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