SCHEMBL179101

SCHEMBL179101

Cc1cccnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 6/20 0.63
RUNX1 Q01196 7/20 0.61
TRPV1 Q8NER1 4/20 0.45
KIT P10721 1/20 0.43
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
P2RY1 P47900 1/20 0.38

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
SCHEMBL179102 0.87 CBFB (0.82) CBFBRUNX1TRPV1KITP2RY1
SCHEMBL17525962 0.86 RUNX1 (0.62) CBFBRUNX1TRPV1
SCHEMBL179096 0.86 CBFB (0.63) CBFBRUNX1TRPV1KITP2RY1
SCHEMBL17525963 0.85 RUNX1 (0.84) CBFBRUNX1TRPV1KITP2RY1
SCHEMBL17525975 0.82 RUNX1 (0.68) CBFBRUNX1TRPV1KITP2RY1
SCHEMBL17525960 0.82 RUNX1 (0.84) CBFBRUNX1P2RY1
SCHEMBL17525970 0.81 RUNX1 (0.69) CBFBRUNX1P2RY1
SCHEMBL21727103 0.80 RUNX1 (0.63) CBFBRUNX1TRPV1KITP2RY1
SCHEMBL17525976 0.80 CBFB (0.56) CBFBRUNX1TRPV1
SCHEMBL125119 0.79 CBFB (0.49) CBFBTRPV1METAP2METAP1

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 14 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-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 2/4885RUNX1 1/4885TRPV1 2944/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885TRPV1 4546/4885
US-20140243331-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885TRPV1 4526/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 CBFB 2/4885RUNX1 1/4885TRPV1 2944/4885
US-20160096820-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB CBFB 3/4885RUNX1 10/4885TRPV1 4526/4885

“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.