SCHEMBL17018569

SCHEMBL17018569

C[C@](N)(CO)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.47
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ GSK3B P49841 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ VNN1 O95497 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ USP7 Q93009 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 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
SCHEMBL4698316 0.84 CNR2 (0.45) KIF11PDK1PDK2PDK3PDK4
SCHEMBL153970 0.82 KIF11 (0.47) KIF11PDK1PDK2PDK3PDK4
SCHEMBL31592675 0.82 KIF11 (0.47) KIF11PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL31237009 0.80 KIF11 (0.46) KIF11PDK1PDK2PDK3PDK4
SCHEMBL12262386 0.78 ENPP2 (0.46) KIF11PDK1PDK2PDK3PDK4
SCHEMBL179266 0.77 KIF11 (0.50) KIF11PDK1PDK2PDK3PDK4
SCHEMBL150220 0.76 KIF11 (0.43) KIF11PDK1PDK2PDK3PDK4
SCHEMBL3435209 0.75 CNR2 (0.46) KIF11PDK1PDK2PDK3PDK4
SCHEMBL5301002 0.74 ATM (0.47) KIF11CYP1A2CYP2C19GLA
SCHEMBL22667407 0.74 KIF11 (0.44) KIF11PDK1PDK2PDK3PDK4

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 — — US disclosed
US-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 — — US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 — — US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 — — 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A KIF11 4704/4885PDK1 162/4885PDK2 887/4885

“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.

Send feedback