SCHEMBL208728

SCHEMBL208728

CC(c1ccccc1)N1CCN(c2c(Br)cnc3[nH]c(-c4ccc(N5CCN(C)CC5)cc4)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.47
FLT3 P36888 1/20 0.43
KCNH2 Q12809 1/20 0.43
MC4R P32245 1/20 0.43
BMPR1B O00238 1/20 0.40
TNKS O95271 2/20 0.39
PARP1 P09874 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
TBK1 Q9UHD2 2/20 0.39
IKBKE Q14164 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
ADORA2B P29275 1/20 0.38
ALK Q9UM73 2/20 0.38
INSR P06213 1/20 0.38
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL211374 0.90 AURKA (0.45) AURKAFLT3KCNH2TBK1IKBKE
SCHEMBL4789991 0.86 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL210044 0.84 AURKA (0.56) AURKAFLT3KCNH2TBK1IKBKE
SCHEMBL209704 0.83 AURKA (0.53) AURKAPARP1
SCHEMBL13985666 0.81 AURKA (0.56) AURKAKCNH2PARP1ADORA2B
SCHEMBL14495792 0.79 AURKA (0.48) AURKAKCNH2TBK1IKBKE
SCHEMBL16152483 0.79 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL210266 0.79 AURKA (0.75) AURKA
SCHEMBL210762 0.79 AURKA (0.58) AURKATBK1IKBKE
SCHEMBL212159 0.78 AURKA (0.62) AURKAKCNH2

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 8 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
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 205/4885KCNH2 499/4885

“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.