SCHEMBL210346

SCHEMBL210346

CN(C)c1ccc(-c2nc3c(N4CCN(c5ccccc5)CC4)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.72
TBK1 Q9UHD2 2/20 0.41
IKBKE Q14164 1/20 0.41
NOX1 Q9Y5S8 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
DGAT1 O75907 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GUSB P08236 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FLT3 P36888 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL2731456 0.88 AURKA (0.63) AURKA
SCHEMBL207725 0.86 AURKA (0.70) AURKAKDM4EMAPT
SCHEMBL5074873 0.86 AURKA (0.59) AURKADGAT1
SCHEMBL209486 0.86 AURKA (0.75) AURKA
SCHEMBL208345 0.86 AURKA (0.58) AURKA
SCHEMBL208125 0.84 AURKA (0.77) AURKADGAT1
SCHEMBL211329 0.84 AURKA (0.57) AURKA
SCHEMBL210455 0.83 AURKA (0.56) AURKAFLT3KCNH2
SCHEMBL209675 0.83 AURKA (0.73) AURKA
SCHEMBL208527 0.82 AURKA (0.56) AURKA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.