SCHEMBL17525970

SCHEMBL17525970

NC(=O)c1cccnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RUNX1 Q01196 7/20 0.69
▸ CBFB Q13951 2/20 0.57
▸ CHEK2 O96017 1/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ DHODH Q02127 3/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RPS6KB1 P23443 3/20 0.39

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
SCHEMBL17525960 0.90 RUNX1 (0.84) RUNX1CBFBP2RY1DHODHIDO1
SCHEMBL17525975 0.88 RUNX1 (0.68) RUNX1CBFBP2RY1DHODHIDO1
SCHEMBL179102 0.82 CBFB (0.82) RUNX1CBFBP2RY1
SCHEMBL179096 0.81 CBFB (0.63) RUNX1CBFBP2RY1
SCHEMBL179101 0.81 CBFB (0.63) RUNX1CBFBP2RY1
SCHEMBL17525962 0.79 RUNX1 (0.62) RUNX1CBFB
SCHEMBL17525963 0.78 RUNX1 (0.84) RUNX1CBFBP2RY1
SCHEMBL21727103 0.78 RUNX1 (0.63) RUNX1CBFBP2RY1IDO1KDM4E
SCHEMBL17525976 0.76 CBFB (0.56) RUNX1CBFB
SCHEMBL15391762 0.75 TRPV1 (0.53) RUNX1DHODHKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885CBFB 2/4885CHEK2 1519/4885

“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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