SCHEMBL3458409

SCHEMBL3458409

O=C(CCc1cccnc1)NCCCCN1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
SIGMAR1 Q99720 1/20 0.58
PTAFR P25105 5/20 0.56
DRD3 P35462 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KCNH2 Q12809 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DRD2 P14416 1/20 0.51
EPHX1 P07099 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL82335 0.85 NAMPT (0.65) ALDH1A1PTAFRCYP1A2CYP3A4CYP2C9
SCHEMBL3458647 0.85 HTR2A (0.54) ALDH1A1KDM4EALOX15PTAFRDRD3
SCHEMBL7672874 0.85 CHRNA7 (0.57) ALDH1A1PTAFRDRD3HTR1AHTR2A
SCHEMBL3458122 0.85 NAMPT (0.64) ALDH1A1PTAFRCYP3A4CYP2C9
SCHEMBL3458648 0.84 NAMPT (0.61) ALDH1A1KDM4EALOX15PTAFRCYP1A2
SCHEMBL3458346 0.84 DRD2 (0.54) ALDH1A1PTAFRDRD3DRD2
SCHEMBL83163 0.82 HTR1A (0.63) DRD3HTR1AHTR2ADRD2
SCHEMBL5400171 0.81 NAMPT (0.59) ALDH1A1PTAFRHTR1AHTR2AMEN1
SCHEMBL83396 0.80 KDM4E (0.54) ALDH1A1KDM4EALOX15DRD3KMT2A
SCHEMBL3077208 0.79 FNTA (0.47) ALDH1A1PTAFRDRD3HTR1AHTR2A

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
JP-4599062-B2 2010-12-15 JP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP disclosed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP disclosed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US disclosed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP disclosed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP 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-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 ALDH1A1 689/4885KDM4E 1672/4885ALOX15 1280/4885

“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.