SCHEMBL6317665

SCHEMBL6317665

COC(=O)C(C(C)=O)c1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
TNF P01375 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA2B P18089 1/20 0.39
ADRA1A P35348 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38

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
SCHEMBL1565662 0.82 GRM4 (0.45) KCNA5GSK3BKMT2AGPR139MEN1
SCHEMBL1565661 0.82 GRM4 (0.45) KCNA5GSK3BKMT2AGPR139MEN1
SCHEMBL3937797 0.82 PTGS1 (0.56) KCNA5GSK3BKMT2AGPR139CACNA1F
SCHEMBL23833539 0.81 HTT (0.46) GSK3BKMT2AMEN1ALDH1A1MAPT
SCHEMBL7116483 0.81 GSK3B (0.49) KCNA5GSK3BKMT2AGPR139MEN1
SCHEMBL1043636 0.81 PDCD1 (0.51) GSK3BGPR139TNFPDCD1CD274
SCHEMBL14660829 0.81 GSK3B (0.42) KCNA5GSK3BKMT2AGPR139MEN1
SCHEMBL6166510 0.79 KMT2A (0.47) KMT2AGPR139MEN1ALDH1A1CACNA1F
SCHEMBL17295085 0.78 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPT
SCHEMBL17290927 0.78 KMT2A (0.44) KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633434-A Imidazo [1, 2-a ] pyridine derivatives DAIICHI SEIYAKU CO (JP) 2005-06-29 CN disclosed
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 KCNA5 2811/4885GSK3B 1796/4885KMT2A 4210/4885

“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.