SCHEMBL580231

SCHEMBL580231

CN(C)CC(C)(C)CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.72
AURKA O14965 6/20 0.72
TPX2 Q9ULW0 3/20 0.72
TEK Q02763 2/20 0.53
KDR P35968 2/20 0.53
LCK P06239 1/20 0.53
PRKD3 O94806 3/20 0.51
PRKD2 Q9BZL6 3/20 0.51
ULK1 O75385 1/20 0.51
RPS6KA5 O75582 1/20 0.51
RPS6KA4 O75676 1/20 0.51
ABL1 P00519 1/20 0.51
FES P07332 1/20 0.51
RET P07949 1/20 0.51
BCR P11274 1/20 0.51
BRAF P15056 1/20 0.51
NQO2 P16083 1/20 0.51
MAP2K2 P36507 1/20 0.51
MAPKAPK2 P49137 1/20 0.51
CLK1 P49759 1/20 0.51

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
SCHEMBL581033 0.88 AURKB (0.77) AURKBAURKATPX2TEKKDR
SCHEMBL580263 0.86 AURKB (0.73) AURKBAURKATPX2TEKKDR
SCHEMBL581323 0.84 AURKB (1.00) AURKBAURKATPX2TEKKDR
SCHEMBL580564 0.83 AURKB (0.75) AURKBAURKATPX2TEKKDR
SCHEMBL581448 0.83 AURKB (0.84) AURKBAURKATPX2TEKPRKD3
SCHEMBL581327 0.82 AURKB (0.75) AURKBAURKATPX2TEKPRKD3
SCHEMBL580197 0.82 AURKB (0.72) AURKBAURKATPX2TEKPRKD3
SCHEMBL580788 0.82 AURKB (0.74) AURKBAURKATPX2TEKKDR
SCHEMBL581204 0.81 AURKB (0.73) AURKBAURKATPX2TEKPRKD3
SCHEMBL581734 0.81 AURKB (0.72) AURKBAURKATPX2TEKKDR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (3 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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885TPX2 346/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AURKB 4/4885AURKA 2/4885TPX2 298/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885TPX2 346/4885

“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.