SCHEMBL14716291

SCHEMBL14716291

COC1(CO)CCN(c2c3c(c(C(N)=O)c4nc5ccccc5n24)CC(C)(C)C3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 1.00
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 7/20 0.37
CASP1 P29466 4/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
CASP7 P55210 2/20 0.37
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
EGFR P00533 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL14728286 0.94 PDE4B (0.89) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728273 0.89 PDE4B (0.80) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14716328 0.89 PDE4B (0.79) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728289 0.85 PDE4B (0.75) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728283 0.85 PDE4B (0.73) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728291 0.84 PDE4B (0.73) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14716347 0.84 PDE4B (0.73) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14716270 0.83 PDE4B (0.71) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728640 0.82 PDE4B (0.70) PDE4BKDM4EALDH1A1CASP1HSD17B10
SCHEMBL14728315 0.81 PDE4B (0.69) PDE4BKDM4EALDH1A1CASP1HSD17B10

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-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US claimed
EP-2565194-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-03-06 EP claimed
US-20130053363-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-02-28 US claimed
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-8822688-B2 Imidazo[1,2-a]pyridine derivative ASTELLAS PHARMA INC. (JP) 2014-09-02 US disclosed
EP-2565194-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-03-06 EP 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
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.