SCHEMBL17525974

SCHEMBL17525974

COc1cc(OCCN2CCCCC2)cnc1-c1nc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RUNX1 Q01196 7/20 0.69
ACHE P22303 6/20 0.47
CBFB Q13951 1/20 0.44
BRD4 O60885 1/20 0.42
IL17A Q16552 1/20 0.42
CHEK2 O96017 1/20 0.42
LTA4H P09960 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
FLT3 P36888 1/20 0.40

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
SCHEMBL17525971 0.99 RUNX1 (0.70) RUNX1ACHECBFBBRD4IL17A
SCHEMBL17525979 0.92 RUNX1 (0.71) RUNX1ACHECBFBDRD2DRD3
SCHEMBL17525973 0.92 RUNX1 (0.68) RUNX1ACHECBFBLTA4HDRD2
SCHEMBL17525959 0.89 RUNX1 (0.88) RUNX1ACHECBFBDRD2DRD3
SCHEMBL17525947 0.87 RUNX1 (0.62) RUNX1CBFB
SCHEMBL17525977 0.85 RUNX1 (0.68) RUNX1DRD2DRD3
SCHEMBL17525978 0.85 RUNX1 (0.63) RUNX1CBFBDRD2DRD3
SCHEMBL17525964 0.83 RUNX1 (0.83) RUNX1CBFB
SCHEMBL19230476 0.83 RUNX1 (0.58) RUNX1ACHECBFBDRD2DRD3
SCHEMBL9025017 0.76 ACHE (0.59) ACHEBRD4IL17ACHEK2LTA4H

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 RUNX1 1/4885ACHE 2581/4885CBFB 2/4885
US-10562890-B2 Cancer therapeutics RUNX1, CBFB, MCL1 RUNX1 1/4885ACHE 2581/4885CBFB 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.