SCHEMBL211374

SCHEMBL211374

CC(c1ccccc1)N1CCN(c2c(Br)cnc3[nH]c(-c4ccc(N5CCC(O)CC5)cc4)nc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.45
TBK1 Q9UHD2 2/20 0.37
IKBKE Q14164 1/20 0.37
DGAT1 O75907 2/20 0.37
TRPC5 Q9UL62 1/20 0.36
FLT3 P36888 1/20 0.35
KCNH2 Q12809 1/20 0.35
ADORA2B P29275 1/20 0.35
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
KRAS P01116 1/20 0.34

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
SCHEMBL208728 0.90 AURKA (0.47) AURKATBK1IKBKETRPC5FLT3
SCHEMBL4789991 0.83 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL210044 0.81 AURKA (0.56) AURKATBK1IKBKEDGAT1FLT3
SCHEMBL209704 0.80 AURKA (0.53) AURKA
SCHEMBL13985666 0.79 AURKA (0.56) AURKADGAT1KCNH2ADORA2B
SCHEMBL249740 0.77 AURKA (0.56) AURKAFLT3KCNH2
SCHEMBL13985468 0.77 AURKA (0.41) AURKADGAT1TRPC5
SCHEMBL14495792 0.76 AURKA (0.48) AURKATBK1IKBKEKCNH2
SCHEMBL16152483 0.76 AURKA (0.47) AURKATRPC5ADORA2B
SCHEMBL210762 0.76 AURKA (0.58) AURKATBK1IKBKE

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 3/4885TBK1 1046/4885IKBKE 270/4885

“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.