SCHEMBL210610

SCHEMBL210610

O=C(O)NCc1ccc(-c2nc3c(N4CCC(Cc5ccccc5)CC4)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CCR3 P51677 2/20 0.40
AURKA O14965 3/20 0.38
DGAT1 O75907 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
ATM Q13315 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NR3C1 P04150 1/20 0.37
ROCK1 Q13464 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL14495800 0.90 MEN1 (0.39) MEN1KMT2ACCR3AURKADGAT1
SCHEMBL210988 0.89 PRMT5 (0.44) MEN1KMT2ATNKSTNKS2
SCHEMBL16152488 0.88 MEN1 (0.38) MEN1KMT2ACCR3AURKADGAT1
SCHEMBL208759 0.87 CHEK2 (0.40) AURKADGAT1TNKSTNKS2
SCHEMBL13985470 0.84 AURKA (0.44) AURKAATMNR3C1
SCHEMBL211891 0.81 AURKA (0.56) AURKAHDAC6
SCHEMBL4790505 0.80 AURKA (0.54) AURKA
SCHEMBL208496 0.79 PRMT5 (0.44) AURKADGAT1TNKSTNKS2
SCHEMBL13985591 0.77 AURKA (0.43) AURKA
SCHEMBL209520 0.75 AURKA (0.40) AURKADGAT1NR3C1

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 3 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-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US 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 MEN1 471/4885KMT2A 384/4885CCR3 2463/4885

“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.