SCHEMBL581896

SCHEMBL581896

Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.91
NPSR1 Q6W5P4 3/20 0.88
MAPT P10636 4/20 0.73
LMNA P02545 1/20 0.73
POLB P06746 3/20 0.71
HTT P42858 2/20 0.71
ALDH1A1 P00352 2/20 0.71
BRAF P15056 1/20 0.71
ENPP3 O14638 3/20 0.70
KLK7 P49862 1/20 0.68
KLK14 Q9P0G3 1/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
KDM4E B2RXH2 2/20 0.64
THRB P10828 1/20 0.64
TP53 P04637 1/20 0.61
PDE5A O76074 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
Hydrochloric Acid SCHEMBL580605 0.98 GAA (0.88) GAANPSR1MAPTLMNAPOLB
SCHEMBL7918570 0.94 NPSR1 (1.00) GAANPSR1MAPTLMNAPOLB
SCHEMBL8021598 0.89 NPSR1 (0.79) GAANPSR1MAPTLMNAPOLB
Hydrochloric Acid SCHEMBL1831909 0.87 GAA (0.84) GAANPSR1MAPTLMNAPOLB
SCHEMBL580813 0.86 ENPP3 (0.70) GAANPSR1MAPTLMNAPOLB
SCHEMBL3022016 0.85 GAA (0.71) GAANPSR1MAPTLMNAPOLB
SCHEMBL2208521 0.85 GAA (0.80) GAANPSR1MAPTLMNAPOLB
SCHEMBL3029240 0.85 GAA (0.80) GAANPSR1MAPTLMNAPOLB
SCHEMBL3024303 0.85 MAPT (1.00) GAANPSR1MAPTLMNAPOLB
SCHEMBL2211235 0.85 GAA (0.80) GAANPSR1MAPTLMNAPOLB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
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-2321298-B1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-02 EP disclosed
EP-2321298-B1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-02 EP disclosed
EP-2418209-A1 Aurora kinase modulators and method of use Amgen Inc. (US) 2012-02-15 EP disclosed
US-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-12-08 US disclosed
US-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-12-08 US disclosed
US-8022221-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-09-20 US disclosed
EP-2321298-A2 AURORA KINASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-05-18 EP disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 US disclosed
WO-2010017240-A2 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-02-11 WO disclosed
WO-2010017240-A2 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-02-11 WO 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 (5 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 GAA 2959/4885NPSR1 3589/4885MAPT 2283/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 GAA 2062/4885NPSR1 3001/4885MAPT 1958/4885
US-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AURKC, AURKA, CDK1 GAA 2495/4885NPSR1 3298/4885MAPT 1537/4885
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 GAA 494/4885NPSR1 2816/4885MAPT 1849/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB GAA 2959/4885NPSR1 3589/4885MAPT 2283/4885

“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.