SCHEMBL208704

SCHEMBL208704

CC(C)c1nc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)cs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
AURKA O14965 8/20 0.33
KCNH2 Q12809 1/20 0.32
AURKB Q96GD4 1/20 0.32
AURKC Q9UQB9 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MGMT P16455 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 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
SCHEMBL209577 0.88 KMT2A (0.43) AURKAKCNH2AURKBAURKCKMT2A
SCHEMBL210004 0.81 AURKA (0.51) AURKAKCNH2AURKBAURKCSMN1; SMN2
SCHEMBL208861 0.81 AURKA (0.45) DRD2AURKAKCNH2AURKBAURKC
SCHEMBL208346 0.79 AURKA (0.42) AURKAKCNH2KMT2AMEN1SMN1; SMN2
SCHEMBL208690 0.78 AURKA (0.34) AURKAKCNH2AURKBAURKCKMT2A
SCHEMBL208825 0.78 MAPT (0.45) KMT2ASMN1; SMN2MAPTLMNABLM
SCHEMBL210022 0.77 AURKA (0.52) AURKAKCNH2AURKBAURKC
SCHEMBL209244 0.77 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2MGMTMAPT
SCHEMBL211301 0.77 ALOX15 (0.37) AURKAKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL208884 0.77 SRPK1 (0.34) AURKAKMT2AMEN1SMN1; SMN2MGMT

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 DRD2 4229/4885HTR2A 4230/4885HRH1 785/4885

“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.