SCHEMBL208690

SCHEMBL208690

Cn1cnc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 8/20 0.34
KCNH2 Q12809 3/20 0.34
AURKB Q96GD4 1/20 0.34
AURKC Q9UQB9 1/20 0.34
FLT3 P36888 2/20 0.34
GNRHR P30968 1/20 0.33
MAPT P10636 3/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RET P07949 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.31
CYP2C9 P11712 2/20 0.31
TSHR P16473 1/20 0.31
MTOR P42345 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
SCHEMBL208493 0.82 AURKA (0.37) AURKAKCNH2AURKBAURKCFLT3
SCHEMBL208825 0.81 MAPT (0.45) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL210022 0.81 AURKA (0.52) AURKAKCNH2AURKBAURKCFLT3
SCHEMBL209244 0.80 ALDH1A1 (0.55) MAPTCYP2C19ALDH1A1MEN1POLB
SCHEMBL208836 0.80 AURKA (0.46) AURKAKCNH2AURKBAURKCCYP2C19
SCHEMBL208861 0.80 AURKA (0.45) AURKAKCNH2AURKBAURKCGNRHR
SCHEMBL209577 0.80 KMT2A (0.43) AURKAKCNH2AURKBAURKCFLT3
SCHEMBL208800 0.79 AURKA (0.43) AURKAKCNH2FLT3MAPTCYP2C19
SCHEMBL2731281 0.79 ALDH1A1 (0.52) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL208346 0.78 AURKA (0.42) AURKAKCNH2MAPTALDH1A1MEN1

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 9 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

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.