SCHEMBL210004

SCHEMBL210004

CC(C)c1nc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)co1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.51
KCNH2 Q12809 2/20 0.34
AURKB Q96GD4 1/20 0.34
AURKC Q9UQB9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FLT3 P36888 2/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL208704 0.81 DRD2 (0.38) AURKAKCNH2AURKBAURKCMAPT
SCHEMBL210022 0.79 AURKA (0.52) AURKAKCNH2AURKBAURKCFLT3
SCHEMBL208346 0.79 AURKA (0.42) AURKAKCNH2L3MBTL1MAPTSMN1; SMN2
SCHEMBL209577 0.78 KMT2A (0.43) AURKAKCNH2AURKBAURKCL3MBTL1
SCHEMBL208690 0.78 AURKA (0.34) AURKAKCNH2AURKBAURKCL3MBTL1
SCHEMBL208825 0.78 MAPT (0.45) L3MBTL1MAPTSMN1; SMN2LMNABLM
SCHEMBL208861 0.77 AURKA (0.45) AURKAKCNH2AURKBAURKCL3MBTL1
SCHEMBL208884 0.77 SRPK1 (0.34) AURKAL3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL209244 0.77 ALDH1A1 (0.55) L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL2731281 0.75 ALDH1A1 (0.52) L3MBTL1MAPTSMN1; SMN2LMNA

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 3/4885KCNH2 499/4885AURKB 2/4885

“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.