SCHEMBL14728508

SCHEMBL14728508

CCCc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HIF1A Q16665 2/20 0.47
GLA P06280 6/20 0.47
GAA P10253 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 5/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 7/20 0.44
KDM4E B2RXH2 6/20 0.44
CASP1 P29466 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
CASP7 P55210 1/20 0.44
HTT P42858 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 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
SCHEMBL14728451 0.93 CYP2C9 (0.50) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728513 0.92 NPSR1 (0.54) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728512 0.90 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728551 0.88 ALDH1A1 (0.45) ALDH1A1HIF1AGLAGAAKMT2A
SCHEMBL14728450 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728510 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728456 0.85 NPSR1 (0.55) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728457 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HIF1AGLAGAA
SCHEMBL14728462 0.82 ALDH1A1 (0.49) ALDH1A1HIF1AGLAGAAKMT2A
SCHEMBL14728505 0.81 NPSR1 (0.55) ALDH1A1SMN1; SMN2HIF1AGLAGAA

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 ALDH1A1 1070/4885SMN1; SMN2 2352/4885HIF1A 4159/4885

“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.