SCHEMBL209558

SCHEMBL209558

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4c(N5CCN(Cc6cccnc6)CC5)c(Cl)cnc4[nH]3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.44
AURKA O14965 2/20 0.44
CCNK O75909 2/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
TBK1 Q9UHD2 6/20 0.43
KIT P10721 1/20 0.42
CDK12 Q9NYV4 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GNRHR P30968 1/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
MAPK1 P28482 2/20 0.40
GPR119 Q8TDV5 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
SCHEMBL211958 0.91 AURKA (0.52) ALKAURKACCNKTBK1KIT
SCHEMBL211129 0.89 AURKA (0.48) AURKAFGFR1FGFR2FGFR4FGFR3
SCHEMBL210953 0.88 AURKA (0.54) AURKACCNKTBK1KITCDK12
SCHEMBL209864 0.88 TBK1 (0.44) AURKATBK1CCNCCDK8
SCHEMBL4754628 0.87 TBK1 (0.40) ALKAURKACCNKCCNA2CDK2
SCHEMBL13985661 0.84 TBK1 (0.42) TBK1CCNCCDK8PRMT5
SCHEMBL211945 0.84 AURKA (0.50) AURKACDK9MAPK1MAPTSMN1; SMN2
SCHEMBL13985719 0.84 AURKA (0.58) AURKA
SCHEMBL13985589 0.84 AURKA (0.42) ALKAURKACCNKCCNA2CDK2
SCHEMBL13985647 0.83 AURKA (0.51) ALKAURKATBK1DGAT1MAPT

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 ALK 4/4885AURKA 3/4885CCNK 92/4885

“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.