SCHEMBL14728513

SCHEMBL14728513

CCCc1c(C2CCOCC2)c(C#N)c2nc3ccccc3n2c1N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 7/20 0.52
HPGD P15428 6/20 0.52
CASP1 P29466 3/20 0.52
TSHR P16473 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HIF1A Q16665 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 5/20 0.49
GAA P10253 3/20 0.49
KDM4E B2RXH2 5/20 0.47
HTT P42858 4/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL14728456 0.93 NPSR1 (0.55) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728512 0.92 ALDH1A1 (0.49) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728508 0.92 ALDH1A1 (0.48) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728510 0.89 ALDH1A1 (0.47) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728424 0.87 NPSR1 (0.56) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728457 0.85 ALDH1A1 (0.50) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728451 0.85 CYP2C9 (0.50) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728514 0.82 ALDH1A1 (0.59) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728469 0.81 NPSR1 (0.55) NPSR1KMT2AMEN1ALDH1A1HPGD
SCHEMBL14728498 0.81 CYP2C9 (0.47) NPSR1KMT2AMEN1ALDH1A1HPGD

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 NPSR1 2690/4885KMT2A 1312/4885MEN1 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.