SCHEMBL209352

SCHEMBL209352

Nc1ncc(Cl)c(N2CCN(Cc3cscn3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.37
KCNH2 Q12809 2/20 0.36
DRD2 P14416 1/20 0.36
SRPK1 Q96SB4 2/20 0.35
RPS6KB1 P23443 2/20 0.34
GNRHR P30968 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPK10 P53779 1/20 0.32
GRM5 P41594 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
SCHEMBL208861 0.88 AURKA (0.45) AURKAKCNH2DRD2SRPK1RPS6KB1
SCHEMBL210013 0.83 DCTPP1 (0.45) AURKAKCNH2RPS6KB1ALDH1A1MAPK10
SCHEMBL209669 0.81 MEN1 (0.45) AURKARPS6KB1L3MBTL1ALDH1A1MAPT
SCHEMBL209615 0.80 MAPT (0.45) RPS6KB1L3MBTL1ALDH1A1MAPT
SCHEMBL210676 0.80 AURKA (0.42) AURKADRD2RPS6KB1L3MBTL1ALDH1A1
SCHEMBL208548 0.80 POLB (0.53) RPS6KB1L3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL207989 0.80 AURKA (0.53) AURKAKCNH2
SCHEMBL19674399 0.78 RPS6KB1 (0.33) AURKAKCNH2RPS6KB1L3MBTL1ALDH1A1
SCHEMBL17092831 0.77 AURKA (0.45) AURKAKCNH2DRD2RPS6KB1L3MBTL1
SCHEMBL16152481 0.77 MAPK10 (0.39) RPS6KB1ALDH1A1MAPTMAPK10

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 10 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

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 3/4885KCNH2 499/4885DRD2 4229/4885

“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.