SCHEMBL2210045

SCHEMBL2210045

Oc1cnc2c(Sc3ccc(Nc4nnc(-c5ccccc5)c5ccccc45)cc3)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 3/20 0.49
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 2/20 0.43
BRAF P15056 1/20 0.43
THRB P10828 1/20 0.43
ENPP3 O14638 3/20 0.43
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE1A P54750 1/20 0.42

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
SCHEMBL2209534 0.86 MAPT (0.48) GAAMAPTLMNAALDH1A1POLB
SCHEMBL2976974 0.85 ENPP3 (0.47) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL2207300 0.84 ENPP3 (0.39) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL2210377 0.83 ENPP3 (0.50) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL3699428 0.82 KDR (0.46) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL15663295 0.82 MAPT (0.55) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL3701300 0.81 ENPP3 (0.47) GAANPSR1MAPTLMNAALDH1A1
SCHEMBL15663388 0.81 KDR (0.57) GAANPSR1MAPTALDH1A1POLB
SCHEMBL2980566 0.80 KDR (0.49) GAAMAPTLMNAALDH1A1POLB
SCHEMBL2211107 0.80 MAPT (0.48) GAAMAPTLMNAALDH1A1POLB

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-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
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-7981891-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2011-07-19 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
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
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 2810/4885MAPT 1693/4885
US-20090069297-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885
US-20100280008-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885
US-20120122847-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, CDK1 GAA 1887/4885NPSR1 2810/4885MAPT 1693/4885

“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.