SCHEMBL14728697

SCHEMBL14728697

COc1cc(C(N)=O)c2nc3ccccc3n2c1N1CCC(C)(CO)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
CASP7 P55210 1/20 0.38
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 1/20 0.35
NEK2 P51955 1/20 0.35
PLK1 P53350 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14728726 0.92 PDE4B (0.51) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728713 0.90 PDE4B (0.65) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728692 0.88 PDE4B (0.52) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728704 0.85 PDE4B (0.50) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728702 0.85 PDE4B (0.50) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728689 0.84 PDE4B (0.51) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728707 0.84 PDE4B (0.49) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728731 0.83 PDE4B (0.63) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728695 0.82 PDE4B (0.47) PDE4BSMN1; SMN2HPGDALDH1A1CASP1
SCHEMBL14728729 0.78 PDE4B (0.63) PDE4BSMN1; SMN2HPGDALDH1A1CASP1

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 2 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-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 1/4885SMN1; SMN2 2352/4885HPGD 1520/4885

“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.