SCHEMBL6312688

SCHEMBL6312688

CCc1c(C)c(C#N)c2nc3ccccn3c2c1N1CC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
PREP P48147 4/20 0.37
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CASP1 P29466 1/20 0.33
CTSS P25774 1/20 0.33

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
SCHEMBL6312686 0.75 ALDH1A1 (0.48) TSHRHPGDALDH1A1CASP1
SCHEMBL5179660 0.69 CTSL (0.51) CTSKCTSLCTSBPREPCASP3
SCHEMBL149797 0.66 CASP3 (0.43) CTSKCTSLCTSBPREPTSHR
SCHEMBL13043801 0.65 CTSK (0.54) CTSKCTSLCTSBPREPTSHR
SCHEMBL14601914 0.65 CTSK (0.54) CTSKCTSLCTSBPREPTSHR
SCHEMBL4706101 0.64 ALDH1A1 (0.45) CTSKCTSLCTSBPREPTSHR
SCHEMBL4338889 0.64 CCR1 (0.48) CTSKCTSLCTSBPREPTSHR
SCHEMBL253913 0.64 ALDH1A1 (0.53) CTSKCTSLCTSBPREPTSHR
SCHEMBL33525492 0.64 ALDH1A1 (0.50) CTSKCTSLCTSBPREPTSHR
SCHEMBL4679772 0.63 TSHR (0.53) CTSKCTSLCTSBPREPTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 CTSK 3147/4885CTSL 2137/4885CTSB 2873/4885

“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.