SCHEMBL210508

SCHEMBL210508

CN(C)c1ccc(-c2nc3c(N4CCN(C(=O)COc5ccccc5)CC4)c(Br)cnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.56
ADORA2B P29275 2/20 0.45
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL14495674 0.89 ADORA2B (0.45) AURKAADORA2BKDM4EMEN1KMT2A
SCHEMBL5074873 0.86 AURKA (0.59) AURKA
SCHEMBL208125 0.84 AURKA (0.77) AURKA
SCHEMBL208650 0.83 AURKA (0.58) AURKA
SCHEMBL210272 0.82 AURKA (0.56) AURKA
SCHEMBL210346 0.82 AURKA (0.72) AURKAKDM4EMAPT
SCHEMBL208332 0.81 AURKA (0.53) AURKA
SCHEMBL209398 0.80 AURKA (0.78) AURKAMAPTALDH1A1LMNA
SCHEMBL2731456 0.80 AURKA (0.63) AURKA
SCHEMBL209486 0.79 AURKA (0.75) AURKAADORA2BMEN1KMT2ASMN1; SMN2

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
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

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 3/4885ADORA2B 3202/4885KDM4E 587/4885

“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.