SCHEMBL581809

SCHEMBL581809

COc1cc(-c2ccccc2)nnc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
LMNA P02545 3/20 0.53
HPGD P15428 3/20 0.53
SQOR Q9Y6N5 2/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 2/20 0.47
ALDH1A1 P00352 5/20 0.46
ADORA1 P30542 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADRB2 P07550 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 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
SCHEMBL2047085 0.84 ALDH1A1 (0.52) SMN1; SMN2LMNAHPGDSQORKMT2A
SCHEMBL17016691 0.84 NPC1 (0.44) SMN1; SMN2LMNAHPGDKMT2AMEN1
SCHEMBL15577621 0.82 SQOR (0.45) SMN1; SMN2HPGDSQORKMT2AMEN1
SCHEMBL17020583 0.82 ALDH1A1 (0.42) SMN1; SMN2HPGDKMT2AMEN1KDM4E
SCHEMBL1752806 0.81 SQOR (0.53) SMN1; SMN2LMNASQORKMT2AMEN1
SCHEMBL581362 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHPGDSQORKMT2A
SCHEMBL4062873 0.80 SQOR (0.47) SMN1; SMN2LMNAHPGDSQORKMT2A
SCHEMBL581162 0.80 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHPGDKMT2AMEN1
SCHEMBL22042684 0.78 ALDH1A1 (0.46) SMN1; SMN2HPGDKDM4EMAPTTSHR
SCHEMBL31092640 0.78 ALDH1A1 (0.46) SMN1; SMN2HPGDKDM4EMAPTTSHR

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 14 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
CN-101405282-B Aurora kinase modulators and methods of use AMGEN INC 2015-03-25 CN 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
CN-101405282-A Aurora kinase modulators and methods of use AMGEN INC (US) 2009-04-08 CN 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 SMN1; SMN2 3923/4885LMNA 620/4885HPGD 4543/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 SMN1; SMN2 3987/4885LMNA 637/4885HPGD 3783/4885
US-20110263530-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, AURKB SMN1; SMN2 3923/4885LMNA 620/4885HPGD 4543/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB SMN1; SMN2 3923/4885LMNA 620/4885HPGD 4543/4885

“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.