SCHEMBL19228820

SCHEMBL19228820

Cc1ccc2[nH]c(-c3ncc(OCCN4CCN(CCc5nnc(C(=O)O)[nH]5)CC4)cc3CO)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RUNX1 Q01196 2/20 0.49
▸ ACHE P22303 4/20 0.41
▸ DRD3 P35462 9/20 0.40
▸ DRD2 P14416 6/20 0.40
▸ TBK1 Q9UHD2 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ KCNA5 P22460 1/20 0.34

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
SCHEMBL19228806 0.85 RUNX1 (0.55) RUNX1ACHEDRD3DRD2
SCHEMBL19228808 0.85 RUNX1 (0.57) RUNX1ACHEDRD3DRD2CHEK2
SCHEMBL19228814 0.84 ACHE (0.56) RUNX1ACHEDRD3DRD2TBK1
SCHEMBL19228818 0.84 KCNA5 (0.54) RUNX1DRD3DRD2KCNA5
SCHEMBL19228815 0.83 RUNX1 (0.55) RUNX1ACHEDRD3DRD2
SCHEMBL19228805 0.83 RUNX1 (0.68) RUNX1ACHEDRD3DRD2DHODH
SCHEMBL19228807 0.79 RUNX1 (0.52) RUNX1ACHE
SCHEMBL17525978 0.79 RUNX1 (0.63) RUNX1DRD3DRD2KCNA5
SCHEMBL19228816 0.74 CBFB (0.45) RUNX1ACHE
SCHEMBL26051103 0.70 CBFB (0.41) RUNX1

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 1 patent. 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

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 1/4885ACHE 2581/4885DRD3 4704/4885

“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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