SCHEMBL19228819

SCHEMBL19228819

Cc1ccc2[nH]c(-c3ncccc3OC=O)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 6/20 0.46
▸ METAP2 P50579 2/20 0.42
▸ METAP1 P53582 2/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ ITK Q08881 2/20 0.37
▸ RUNX1 Q01196 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ EPHX2 P34913 1/20 0.36

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
SCHEMBL125119 0.80 CBFB (0.49) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19228825 0.80 CBFB (0.41) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL32680229 0.78 CBFB (0.47) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL124418 0.78 CBFB (0.54) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL13064018 0.77 CBFB (0.56) CBFBALDH1A1PDE10AITKRUNX1
SCHEMBL19228817 0.76 RUNX1 (0.57) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19228812 0.75 RUNX1 (0.56) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL19228810 0.74 RUNX1 (0.65) ALDH1A1RUNX1POLB
SCHEMBL19228826 0.73 ALOX5 (0.46) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL179108 0.73 CBFB (0.60) CBFBNPC1RAB9APKMALDH1A1

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 CBFB 2/4885METAP2 4282/4885METAP1 3637/4885

“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.

Send feedback