SCHEMBL310503

SCHEMBL310503

COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1NC(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.46
DRD4 P21917 3/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR4 Q13639 2/20 0.37
RBP4 P02753 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
KCNT2 Q6UVM3 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
INSR P06213 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL310834 0.79 ALK (0.46) ALKHTR4DRD2KMT2AMEN1
SCHEMBL10257655 0.77 HTT (0.44) ALKNQO2MTNR1AMTNR1BCYP2C9
SCHEMBL310145 0.76 INSR (0.44) DRD4DRD2DRD3INSRFLT3
Acetic Acid SCHEMBL310381 0.74 HTT (0.42) ALKNQO2MTNR1AMTNR1BCYP2C9
SCHEMBL1811864 0.68 DRD2 (0.41) ALKDRD4DRD2DRD3
SCHEMBL3167693 0.67 CSF1R (0.50) FLT3
SCHEMBL10290235 0.65 DRD2 (0.40) DRD4HTR4DRD2DRD3KMT2A
SCHEMBL310949 0.65 DRD2 (0.58) HTR4DRD2
SCHEMBL9196567 0.65 CYP1A2 (0.50) NQO2MTNR1AMTNR1BCYP2C9CYP2C19
SCHEMBL311689 0.65 TLR9 (0.47) HTR4DRD2KCNH2

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
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 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 (2 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALK 144/4885DRD4 4210/4885NQO2 1727/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 ALK 144/4885DRD4 4210/4885NQO2 1727/4885

“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.