SCHEMBL594254

SCHEMBL594254

CC(C)(C)OC(=O)NCCOc1cnc(F)cc1I

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.48
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
PDK2 Q15119 1/20 0.41
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
IDO1 P14902 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
EGFR P00533 1/20 0.38
ITK Q08881 1/20 0.38
BRD4 O60885 1/20 0.37
BUB1 O43683 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL595540 0.96 CA12 (0.45) SCN9ACA12CA1CA2CA9
SCHEMBL3634893 0.81 NQO2 (0.47) SCN9ACA12CA1CA2CA9
SCHEMBL13883179 0.77 BCHE (0.47) SCN9ACA12CA1CA2CA9
SCHEMBL18289999 0.77 SCN9A (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL24239046 0.76 CA12 (0.46) SCN9ACA12CA1CA2CA9
SCHEMBL12462310 0.76 SCN9A (0.48) SCN9ACA12CA1CA2CA9
SCHEMBL29614845 0.75 CA12 (0.54) SCN9ACA12CA1CA2CA9
SCHEMBL18290008 0.74 CA12 (0.56) SCN9ACA12CA1CA2CA9
SCHEMBL29509110 0.74 CA12 (0.56) SCN9ACA12CA1CA2CA9
SCHEMBL594117 0.74 CYP17A1 (0.40) CA1CA2AAK1BRD4

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-8114872-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2012-02-14 US disclosed
US-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-05-27 US disclosed
EP-2155735-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144222-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 WO 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-20100130466-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP SCN9A 4631/4885CA12 3115/4885CA1 4613/4885

“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.