SCHEMBL581353

SCHEMBL581353

N#Cc1n[nH]cc1-c1cccnc1Oc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
RAB9A P51151 1/20 0.36
CRHR2 Q13324 1/20 0.36
PDE10A Q9Y233 2/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL581534 0.75 AURKA (0.59) MAPT
SCHEMBL581393 0.73 PDE10A (0.56) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL14878632 0.72 PDE10A (0.58) PDE10A
SCHEMBL587812 0.71 MEN1 (0.49) MEN1KMT2AAPAF1PDE10A
SCHEMBL20165747 0.71 MEN1 (0.51) MEN1KMT2AAPAF1ALDH1A1MAPT
SCHEMBL2455636 0.71 PDE10A (0.58) MEN1KMT2AAPAF1PDE10A
SCHEMBL7904646 0.71 NCOA1 (0.58) MEN1KMT2AAPAF1ALDH1A1CYP1A2
SCHEMBL13282750 0.69 MEN1 (0.56) MEN1KMT2AAPAF1ALDH1A1MAPT
SCHEMBL15850437 0.68 NUDT1 (0.47) MEN1KMT2AAPAF1PDE10A
SCHEMBL8515345 0.67 MEN1 (0.58) MEN1KMT2AAPAF1ALDH1A1MAPT

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-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
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 MEN1 635/4885KMT2A 741/4885APAF1 701/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB MEN1 635/4885KMT2A 741/4885APAF1 701/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB MEN1 635/4885KMT2A 741/4885APAF1 701/4885

“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.