SCHEMBL14728472

SCHEMBL14728472

Cc1c(C2CCCO2)c(C#N)c2nc3ccccc3n2c1N1CCC(C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
GLA P06280 7/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 5/20 0.49
KDM4E B2RXH2 9/20 0.48
NPSR1 Q6W5P4 5/20 0.48
HPGD P15428 5/20 0.48
HIF1A Q16665 3/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 3/20 0.46
RECQL P46063 1/20 0.45
CASP1 P29466 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 4/20 0.44
MAPK1 P28482 2/20 0.44
ALOX12 P18054 1/20 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
SCHEMBL14728473 0.93 NPSR1 (0.55) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728470 0.89 ALDH1A1 (0.48) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728471 0.87 ALDH1A1 (0.47) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728425 0.86 ALDH1A1 (0.55) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728559 0.85 NPSR1 (0.50) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728500 0.85 NPSR1 (0.47) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728468 0.85 ALDH1A1 (0.51) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728614 0.83 NPSR1 (0.48) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728636 0.83 NPSR1 (0.46) ALDH1A1GLAMEN1KMT2AGAA
SCHEMBL14728504 0.83 NPSR1 (0.47) ALDH1A1GLAMEN1KMT2AGAA

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 195/4885MEN1 4281/4885

“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.