SCHEMBL14728327

SCHEMBL14728327

CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCNCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
HPGD P15428 4/20 0.73
TSHR P16473 4/20 0.73
CASP1 P29466 2/20 0.73
CASP7 P55210 2/20 0.73
HSD17B10 Q99714 1/20 0.73
RAB9A P51151 3/20 0.71
POLB P06746 2/20 0.71
NPSR1 Q6W5P4 4/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL14728321 0.87 ALDH1A1 (0.64) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728366 0.82 ALDH1A1 (0.53) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728326 0.81 CYP2C9 (0.66) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL4780216 0.80 NPSR1 (0.60) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728379 0.78 ALDH1A1 (0.61) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728721 0.78 NPSR1 (0.56) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728310 0.77 NPSR1 (0.61) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728335 0.77 NPSR1 (0.57) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728348 0.77 ALDH1A1 (0.66) ALDH1A1HPGDTSHRCASP1CASP7
SCHEMBL14728376 0.76 ALDH1A1 (0.65) ALDH1A1HPGDTSHRCASP1CASP7

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 1070/4885HPGD 1520/4885TSHR 3031/4885

“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.