SCHEMBL581544

SCHEMBL581544

CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(Cl)c4c3CCC4)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 13/20 0.61
AURKA O14965 9/20 0.61
TPX2 Q9ULW0 8/20 0.61
TEK Q02763 6/20 0.55
KDR P35968 3/20 0.45
ULK1 O75385 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
PRKD3 O94806 1/20 0.43
ABL1 P00519 1/20 0.43
FES P07332 1/20 0.43
RET P07949 1/20 0.43
BCR P11274 1/20 0.43
BRAF P15056 1/20 0.43
NQO2 P16083 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43

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
SCHEMBL581754 0.98 AURKB (0.61) AURKBAURKATPX2TEKKDR
SCHEMBL580935 0.88 AURKB (0.65) AURKBAURKATPX2TEKKDR
SCHEMBL580481 0.87 AURKB (0.76) AURKBAURKATPX2TEKKDR
SCHEMBL580672 0.87 AURKB (0.65) AURKBAURKATPX2TEKKDR
SCHEMBL580992 0.86 AURKB (0.63) AURKBAURKATPX2TEKKDR
SCHEMBL580237 0.86 AURKB (0.57) AURKBAURKATPX2TEKKDR
SCHEMBL581232 0.85 AURKB (0.76) AURKBAURKATPX2TEKKDR
SCHEMBL580505 0.85 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580890 0.85 AURKB (0.66) AURKBAURKATPX2TEKKDR
SCHEMBL580434 0.85 AURKB (0.63) 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 10 patents. 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
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
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
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US 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-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 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 (4 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-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB AURKB 3/4885AURKA 2/4885TPX2 346/4885
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.