SCHEMBL580459

SCHEMBL580459

Brc1cnccc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.48
AURKA O14965 2/20 0.48
AURKB Q96GD4 1/20 0.48
TPX2 Q9ULW0 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
CA9 Q16790 2/20 0.45
CA2 P00918 1/20 0.45
KDR P35968 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE5A O76074 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL581677 0.81 AURKA (0.55) ENPP3MAPTLMNAGAAAURKA
SCHEMBL581802 0.80 AURKA (0.48) ENPP3MAPTLMNAGAAAURKA
SCHEMBL2209749 0.79 AURKA (0.47) ENPP3MAPTLMNAGAAAURKA
SCHEMBL2211081 0.79 FGFR2 (0.50) ENPP3MAPTLMNAGAAAURKA
SCHEMBL2209074 0.79 FGFR2 (0.50) ENPP3MAPTLMNAGAAAURKA
SCHEMBL15809924 0.78 AURKA (0.52) ENPP3MAPTLMNAGAAAURKA
SCHEMBL580971 0.78 AURKA (0.53) ENPP3MAPTLMNAGAAAURKA
SCHEMBL580535 0.78 AURKA (0.59) ENPP3MAPTLMNAGAAAURKA
SCHEMBL3703048 0.77 KDR (0.50) ENPP3MAPTLMNAGAAAURKA
SCHEMBL2206566 0.77 AURKA (0.55) ENPP3MAPTLMNAGAAAURKA

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 ENPP3 1771/4885MAPT 2283/4885LMNA 620/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 ENPP3 1651/4885MAPT 1958/4885LMNA 637/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB ENPP3 1771/4885MAPT 2283/4885LMNA 620/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB ENPP3 1771/4885MAPT 2283/4885LMNA 620/4885

“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.