SCHEMBL2209774

SCHEMBL2209774

Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
NPSR1 Q6W5P4 3/20 0.62
ENPP3 O14638 2/20 0.55
KDM4E B2RXH2 2/20 0.55
THRB P10828 1/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
PDE5A O76074 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE3B Q13370 1/20 0.54
PDE1C Q14123 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL581896 0.82 GAA (0.91) GAANPSR1ENPP3KDM4ETHRB
Hydrochloric Acid SCHEMBL580605 0.81 GAA (0.88) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL8021598 0.80 NPSR1 (0.79) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL2210475 0.80 MAPT (0.56) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL7913355 0.80 GAA (0.66) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL580813 0.78 ENPP3 (0.70) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL8023406 0.77 NPSR1 (0.61) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL7915165 0.77 ALDH1A1 (0.72) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL7915123 0.77 KDR (0.70) GAANPSR1ENPP3KDM4ETHRB
SCHEMBL7904940 0.77 ENPP3 (0.70) GAANPSR1ENPP3KDM4ETHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
US-20140336182-A1 Aurora Kinase Modulators and Method of Use AMGEN INC (US) 2014-11-13 US disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
EP-2137177-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-05-07 EP disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557816-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2012-05-17 US disclosed
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2010-11-04 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776857-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2010-08-17 US disclosed
EP-2137177-A2 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2009-12-30 EP disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
US-20090069297-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-03-12 US disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 WO disclosed
WO-2008124083-A2 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2008-10-16 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-20140336182-A1 Aurora Kinase Modulators and Method of Use AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885ENPP3 1630/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885ENPP3 1630/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885ENPP3 1630/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885ENPP3 1630/4885

“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.