SCHEMBL208875

SCHEMBL208875

CC(C)CN1CCN(c2c(Cl)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BLM P54132 1/20 0.36
LMNA P02545 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL209615 0.87 MAPT (0.45) RPS6KB1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL208346 0.86 AURKA (0.42) RPS6KB1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL16152481 0.81 MAPK10 (0.39) RPS6KB1MAPTLMNAALDH1A1HTT
SCHEMBL14495694 0.81 HSP90AA1 (0.42) RPS6KB1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL209669 0.81 MEN1 (0.45) RPS6KB1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL208548 0.80 POLB (0.53) RPS6KB1KMT2AMEN1MAPTALDH1A1
SCHEMBL4757760 0.80 RPS6KB1 (0.36) RPS6KB1MAPTSMN1; SMN2BLMLMNA
SCHEMBL210676 0.80 AURKA (0.42) RPS6KB1KMT2AMEN1MAPTALDH1A1
SCHEMBL210166 0.78 AURKA (0.46) RPS6KB1MAPTALDH1A1
SCHEMBL209883 0.78 SIGMAR1 (0.46) KMT2AMEN1MAPTALDH1A1L3MBTL1

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 RPS6KB1 663/4885KMT2A 384/4885MEN1 471/4885

“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.