SCHEMBL209294

SCHEMBL209294

CC(c1cccnc1)N1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.37
DGKI O75912 1/20 0.37
DGKZ Q13574 1/20 0.37
AURKA O14965 1/20 0.37
TRPC5 Q9UL62 1/20 0.35
DGKG P49619 1/20 0.35
DGKB Q9Y6T7 1/20 0.35
RPS6KB1 P23443 3/20 0.34
MGMT P16455 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OGA O60502 3/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
MAPT P10636 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL209733 0.90 TRPC5 (0.44) DGKADGKIDGKZAURKATRPC5
SCHEMBL208549 0.89 AURKA (0.47) DGKADGKIDGKZAURKATRPC5
SCHEMBL16152465 0.83 AURKA (0.40) AURKATRPC5RPS6KB1CYP11B1CYP11B2
SCHEMBL209547 0.83 DGKA (0.36) DGKADGKIDGKZAURKATRPC5
SCHEMBL209785 0.78 AURKA (0.47) AURKAMGMTMAPT
SCHEMBL210166 0.78 AURKA (0.46) DGKADGKIDGKZAURKATRPC5
SCHEMBL207918 0.77 AURKA (0.37) DGKADGKIDGKZAURKADGKG
SCHEMBL209446 0.75 MEN1 (0.48) AURKARPS6KB1MEN1KMT2ACYP3A4
SCHEMBL208346 0.75 AURKA (0.42) AURKARPS6KB1MEN1KMT2AMAPT
SCHEMBL4757120 0.74 CHRM4 (0.42) MGMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
WO-2009001021-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES CHROMA THERAPEUTICS LTD. (GB) 2008-12-31 WO disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA DGKA 3872/4885DGKI 3085/4885DGKZ 3636/4885

“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.