SCHEMBL6312639

SCHEMBL6312639

CCc1c(C)c(C#N)c2nc3ccccn3c2c1NCC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.39
CTSL P07711 7/20 0.39
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
CTSB P07858 6/20 0.37
CTSK P43235 4/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
TACR1 P25103 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL6312633 0.75 MEN1 (0.60)
SCHEMBL6310328 0.69 NPSR1 (0.44)
SCHEMBL28832879 0.65 SIRT2 (0.56) CTSSCTSLITGB3CTSBCTSK
SCHEMBL265783 0.65 CTSK (0.66) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL329038 0.65 CTSK (0.66) CTSSCTSLCTSBCTSKSIRT2
SCHEMBL265461 0.65 CTSK (0.66) CTSSCTSLCTSBCTSKSIRT2
Hydrochloric Acid SCHEMBL1161917 0.64 SIRT2 (0.55) CTSSCTSLITGB3CTSBCTSK
SCHEMBL4828679 0.64 CTSL (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL28723295 0.64 CTSL (0.62) CTSSCTSLCTSBCTSKTACR1
SCHEMBL18063383 0.64 FOLH1 (0.65) CTSSCTSLITGB3ITGAVCTSB

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 CTSS 2938/4885CTSL 2137/4885ITGB3 3516/4885

“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.