SCHEMBL17525976

SCHEMBL17525976

FC(F)(F)Oc1ccc2[nH]c(-c3ncccc3N3CCCC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.56
RUNX1 Q01196 11/20 0.53
CXCR3 P49682 2/20 0.41
BACE1 P56817 1/20 0.40
FGFR1 P11362 2/20 0.40
PDE10A Q9Y233 2/20 0.39
TRPV1 Q8NER1 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 0.81 CBFB (0.82) CBFBRUNX1PDE10ATRPV1
SCHEMBL19228827 0.80 CXCR3 (0.45) CBFBCXCR3FGFR1TRPV1
SCHEMBL179101 0.80 CBFB (0.63) CBFBRUNX1TRPV1
SCHEMBL179096 0.80 CBFB (0.63) CBFBRUNX1TRPV1
SCHEMBL17525962 0.78 RUNX1 (0.62) CBFBRUNX1PDE10ATRPV1
SCHEMBL17525963 0.78 RUNX1 (0.84) CBFBRUNX1TRPV1
SCHEMBL17525960 0.77 RUNX1 (0.84) CBFBRUNX1PDE10A
SCHEMBL17525970 0.76 RUNX1 (0.69) CBFBRUNX1
SCHEMBL21727103 0.75 RUNX1 (0.63) CBFBRUNX1TRPV1
SCHEMBL17525975 0.75 RUNX1 (0.68) CBFBRUNX1TRPV1

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 4 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
WO-2016025744-A1 CANCER THERAPEUTICS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-02-18 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 (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 CBFB 2/4885RUNX1 1/4885CXCR3 1245/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 CBFB 2/4885RUNX1 1/4885CXCR3 1245/4885

“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.