SCHEMBL14728606

SCHEMBL14728606

Cc1c(CC2CCN(C(=O)OCc3ccccc3)CC2)c(C#N)c2nc3ccccc3n2c1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CASP1 P29466 4/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP7 P55210 1/20 0.46
GRIN2B Q13224 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
NPSR1 Q6W5P4 5/20 0.43
HIF1A Q16665 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL14728422 0.90 SMN1; SMN2 (0.49) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728605 0.84 ALDH1A1 (0.58) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728579 0.82 ALDH1A1 (0.53) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728416 0.81 ALDH1A1 (0.46) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728555 0.81 ALDH1A1 (0.46) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728433 0.80 NPSR1 (0.58) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728431 0.80 ALDH1A1 (0.54) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728430 0.80 ALDH1A1 (0.49) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728383 0.80 CASP1 (0.49) ALDH1A1CASP1HPGDTSHRHSD17B10
SCHEMBL14728417 0.79 ALDH1A1 (0.45) ALDH1A1CASP1HPGDTSHRHSD17B10

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 1070/4885CASP1 2732/4885HPGD 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.