SCHEMBL14728555

SCHEMBL14728555

Cc1c(C2CCN(C(=O)OCc3ccccc3)CC2)c(C#N)c2nc3ccccc3n2c1N1CCC(C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
CASP1 P29466 4/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP7 P55210 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 4/20 0.44
GLA P06280 3/20 0.44
GAA P10253 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HIF1A Q16665 1/20 0.42
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL14728613 0.95 ALDH1A1 (0.48) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728579 0.94 ALDH1A1 (0.53) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728416 0.92 ALDH1A1 (0.46) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728417 0.91 ALDH1A1 (0.45) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728554 0.89 CASP1 (0.44) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728559 0.83 NPSR1 (0.50) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728615 0.82 MEN1 (0.50) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728422 0.81 SMN1; SMN2 (0.49) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728606 0.81 ALDH1A1 (0.46) ALDH1A1CASP1HSD17B10CASP7HPGD
SCHEMBL14728561 0.80 NPSR1 (0.47) ALDH1A1CASP1HSD17B10CASP7HPGD

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 2732/4885HSD17B10 2115/4885

“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.