SCHEMBL1832096

SCHEMBL1832096

Clc1ccc(-c2nnc(Nc3ccc(Oc4ccnc(/C=C/c5ccccc5)n4)cc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.48
ENPP3 O14638 3/20 0.47
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
TPX2 Q9ULW0 2/20 0.46
MAPT P10636 5/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
ALDH1A1 P00352 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
PDE1B Q01064 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
SCHEMBL9988170 1.00 KDR (0.48) KDRENPP3AURKAAURKBTPX2
SCHEMBL1832652 0.86 KDR (0.55) KDRENPP3AURKAAURKBTPX2
SCHEMBL1832537 0.83 KDR (0.48) KDRENPP3MAPTLMNAGAA
SCHEMBL1841213 0.83 KDR (0.48) KDRENPP3AURKAAURKBTPX2
SCHEMBL1831063 0.83 KDR (0.48) KDRENPP3AURKAAURKBTPX2
SCHEMBL1832534 0.83 KDR (0.48) KDRENPP3MAPTLMNAGAA
SCHEMBL1832936 0.74 AURKA (0.54) KDRENPP3AURKAAURKBTPX2
SCHEMBL7915165 0.73 ALDH1A1 (0.72) KDRENPP3MAPTLMNAGAA
SCHEMBL7913416 0.73 NPSR1 (0.73) KDRENPP3MAPTLMNAGAA
SCHEMBL1840377 0.73 KDR (0.42) KDRENPP3AURKAAURKBTPX2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2321298-B1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-10-02 EP claimed
US-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-12-08 US claimed
EP-2321298-A2 AURORA KINASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-05-18 EP claimed
WO-2010017240-A2 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-02-11 WO claimed
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
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-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-12-08 US disclosed
EP-2321298-A2 AURORA KINASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2011-05-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110301162-A1 AURORA KINASE MODULATORS AND METHODS OF USE AURKC, AURKA, CDK1 KDR 538/4885ENPP3 1367/4885AURKA 2/4885

“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.