SCHEMBL19230464

SCHEMBL19230464

O=C(c1ccccc1)N1CCN(CCOc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)nc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 5/20 0.66
DRD3 P35462 9/20 0.54
CBFB Q13951 1/20 0.49
KCNA5 P22460 6/20 0.49
DRD2 P14416 6/20 0.46

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
SCHEMBL19228824 0.88 KCNA5 (0.60) RUNX1DRD3KCNA5DRD2
SCHEMBL17525977 0.86 RUNX1 (0.68) RUNX1DRD3KCNA5DRD2
SCHEMBL17525957 0.86 RUNX1 (0.87) RUNX1DRD3CBFBKCNA5DRD2
SCHEMBL17525972 0.83 RUNX1 (0.86) RUNX1CBFB
SCHEMBL24950551 0.77 CBFB (0.58) RUNX1CBFB
SCHEMBL30787480 0.77 CBFB (0.58) RUNX1CBFB
SCHEMBL19970847 0.77 RUNX1 (0.51) RUNX1DRD3CBFB
SCHEMBL19831268 0.76 CBFB (0.70) RUNX1CBFB
SCHEMBL19831263 0.76 CBFB (0.70) RUNX1CBFB
SCHEMBL179114 0.76 CBFB (0.70) RUNX1CBFB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 EP disclosed
US-10562890-B2 Cancer therapeutics UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-02-18 US disclosed
US-20170233375-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-08-17 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 (2 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 RUNX1 1/4885DRD3 4704/4885CBFB 2/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 RUNX1 1/4885DRD3 4704/4885CBFB 2/4885

“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.