SCHEMBL210676

SCHEMBL210676

Nc1ncc(Cl)c(N2CCN(Cc3cncnc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.42
FLT3 P36888 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
RPS6KB1 P23443 2/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL208548 0.89 POLB (0.53) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL209669 0.88 MEN1 (0.45) AURKAFLT3POLBL3MBTL1ALDH1A1
SCHEMBL209541 0.87 DRD2 (0.50) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL208800 0.87 AURKA (0.43) AURKAFLT3POLBL3MBTL1ALDH1A1
SCHEMBL4757112 0.86 DRD2 (0.38) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL209615 0.82 MAPT (0.45) POLBL3MBTL1ALDH1A1MAPTRPS6KB1
SCHEMBL4754624 0.81 PPARD (0.43) POLBL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL17092831 0.80 AURKA (0.45) AURKAFLT3POLBL3MBTL1ALDH1A1
SCHEMBL209352 0.80 AURKA (0.37) AURKAL3MBTL1ALDH1A1MAPTNPBWR1
SCHEMBL14495694 0.80 HSP90AA1 (0.42) POLBALDH1A1MAPTRPS6KB1MEN1

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
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 3/4885FLT3 205/4885POLB 476/4885

“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.