SCHEMBL14728457

SCHEMBL14728457

CCc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
GLA P06280 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 4/20 0.47
HIF1A Q16665 2/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
MDM2 Q00987 1/20 0.45
TSHR P16473 4/20 0.44
CASP1 P29466 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
CASP7 P55210 2/20 0.44

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
SCHEMBL14728512 0.93 ALDH1A1 (0.49) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728456 0.92 NPSR1 (0.55) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728451 0.90 CYP2C9 (0.50) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728425 0.89 ALDH1A1 (0.55) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728455 0.88 CYP2C9 (0.47) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728498 0.86 CYP2C9 (0.47) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728513 0.85 NPSR1 (0.54) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728468 0.84 ALDH1A1 (0.51) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728508 0.83 ALDH1A1 (0.48) ALDH1A1GLAGAAMEN1KMT2A
SCHEMBL14728514 0.81 ALDH1A1 (0.59) ALDH1A1GLAGAAMEN1KMT2A

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 1070/4885GLA 195/4885GAA 507/4885

“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.