SCHEMBL581145

SCHEMBL581145

c1ccc(-c2nnc(Nc3ccc(Oc4ncccc4-c4ccnc(NCCCN5CCCCC5)n4)nc3)c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.55
AURKB Q96GD4 4/20 0.55
TPX2 Q9ULW0 2/20 0.55
MKNK1 Q9BUB5 1/20 0.43
RET P07949 2/20 0.39
ULK1 O75385 1/20 0.39
RPS6KA5 O75582 1/20 0.39
RPS6KA4 O75676 1/20 0.39
PRKD3 O94806 1/20 0.39
ABL1 P00519 1/20 0.39
FES P07332 1/20 0.39
BCR P11274 1/20 0.39
BRAF P15056 1/20 0.39
NQO2 P16083 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL580464 0.94 AURKA (0.57) AURKAAURKBTPX2MKNK1RET
SCHEMBL580328 0.93 AURKA (0.54) AURKAAURKBTPX2MKNK1RET
SCHEMBL581455 0.92 AURKA (0.46) AURKAAURKBTPX2MKNK1RET
SCHEMBL581674 0.89 AURKB (0.69) AURKAAURKBTPX2MKNK1RET
SCHEMBL580417 0.88 AURKA (0.60) AURKAAURKBTPX2RETULK1
SCHEMBL581015 0.86 MKNK1 (0.43) AURKAAURKBTPX2MKNK1ABL1
SCHEMBL581203 0.85 AURKB (0.69) AURKAAURKBTPX2MKNK1RET
SCHEMBL581394 0.84 AURKB (0.66) AURKAAURKBTPX2RETULK1
SCHEMBL581549 0.82 AURKB (0.61) AURKAAURKBTPX2MKNK1RET
SCHEMBL581297 0.82 AURKB (0.63) AURKAAURKBTPX2MKNK1RET

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP claimed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US claimed
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AMGEN INC. (US) 2011-10-27 US claimed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US claimed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US claimed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US claimed
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-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP 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 AURKA 2/4885AURKB 3/4885TPX2 346/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 AURKA 2/4885AURKB 4/4885TPX2 298/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885TPX2 346/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885TPX2 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.