SCHEMBL207918

SCHEMBL207918

CC(c1ccncc1)N1CCN(c2c(Cl)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.37
RPS6KB1 P23443 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
DGKA P23743 2/20 0.35
DGKI O75912 1/20 0.35
DGKZ Q13574 1/20 0.35
ALDH1A1 P00352 1/20 0.33
OGA O60502 7/20 0.33
DGKG P49619 1/20 0.33
DGKB Q9Y6T7 1/20 0.33
HSD11B1 P28845 1/20 0.32
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
SCN8A Q9UQD0 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
SCHEMBL210166 0.91 AURKA (0.46) AURKARPS6KB1CNR1CNR2DGKA
SCHEMBL208549 0.88 AURKA (0.47) AURKARPS6KB1DGKADGKIDGKZ
SCHEMBL208548 0.80 POLB (0.53) RPS6KB1ALDH1A1MEN1KMT2A
SCHEMBL209733 0.78 TRPC5 (0.44) AURKARPS6KB1DGKADGKIDGKZ
SCHEMBL208875 0.77 RPS6KB1 (0.38) RPS6KB1ALDH1A1MEN1KMT2A
SCHEMBL209294 0.77 DGKA (0.37) AURKARPS6KB1DGKADGKIDGKZ
SCHEMBL209615 0.75 MAPT (0.45) RPS6KB1ALDH1A1MEN1KMT2A
SCHEMBL209541 0.72 DRD2 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL209669 0.72 MEN1 (0.45) AURKARPS6KB1ALDH1A1MEN1KMT2A
SCHEMBL209547 0.71 DGKA (0.36) AURKARPS6KB1DGKADGKIDGKZ

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
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
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 AURKA 3/4885RPS6KB1 663/4885CNR1 2992/4885

“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.