SCHEMBL14728707

SCHEMBL14728707

C[S+]([O-])c1cc(C(N)=O)c2nc3ccccc3n2c1N1CCC(C)(CO)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 3/20 0.34
TSHR P16473 2/20 0.34
CASP7 P55210 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARG P37231 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30

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
SCHEMBL14728719 0.89 PDE4B (0.61) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728692 0.86 PDE4B (0.52) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728702 0.84 PDE4B (0.50) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728697 0.84 PDE4B (0.54) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728704 0.84 PDE4B (0.50) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728726 0.83 PDE4B (0.51) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728689 0.82 PDE4B (0.51) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14728273 0.75 PDE4B (0.80) PDE4BKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL14716461 0.75 PDE4B (0.64) PDE4BKDM4EALDH1A1GAACASP1
SCHEMBL14728722 0.75 PDE4B (0.57) PDE4BKDM4EALDH1A1GAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US disclosed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US 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-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE PDE4B, PDE4A, PDE4C PDE4B 1/4885KDM4E 586/4885ALDH1A1 1070/4885

“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.