SCHEMBL581802

SCHEMBL581802

Fc1cc(-c2cnccc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.48
AURKB Q96GD4 2/20 0.48
TPX2 Q9ULW0 2/20 0.48
KDR P35968 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
MET P08581 1/20 0.42
ENPP3 O14638 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE1A P54750 1/20 0.41

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
SCHEMBL580971 0.88 AURKA (0.53) AURKAAURKBTPX2KDRMAPT
SCHEMBL581677 0.80 AURKA (0.55) AURKAAURKBTPX2KDRMAPT
SCHEMBL580459 0.80 ENPP3 (0.51) AURKAAURKBTPX2KDRMAPT
SCHEMBL581019 0.76 AURKA (0.58) AURKAAURKBTPX2MAPTLMNA
SCHEMBL2204739 0.76 AURKA (0.47) AURKAAURKBTPX2KDRMAPT
SCHEMBL15809924 0.76 AURKA (0.52) AURKAAURKBTPX2KDRMAPT
SCHEMBL580535 0.75 AURKA (0.59) AURKAAURKBTPX2MAPTLMNA
SCHEMBL14047242 0.75 AURKA (0.48) AURKAAURKBTPX2KDRMAPT
SCHEMBL581165 0.75 AURKA (0.69) AURKAAURKBTPX2
SCHEMBL3703048 0.74 KDR (0.50) AURKAAURKBTPX2KDRMAPT

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 12 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
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
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 (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.