SCHEMBL15077819

SCHEMBL15077819

[2H]C([2H])(C)c1ccnc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.46
▸ CYP17A1 P05093 1/20 0.45
▸ CCR2 P41597 2/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ NR3C2 P08235 7/20 0.43
▸ ATR Q13535 1/20 0.42
▸ P2RX3 P56373 1/20 0.41
▸ RIOK2 Q9BVS4 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ SREBF2 Q12772 1/20 0.39

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
SCHEMBL15077830 0.89 IGF1R (0.46) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL15354529 0.89 RIOK2 (0.50) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL15077836 0.88 IGF1R (0.46) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL12695309 0.86 NR3C2 (0.47) IGF1RCYP17A1CCR2NR3C2ATR
SCHEMBL29575346 0.86 IGF1R (0.48) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL1940483 0.86 IGF1R (0.48) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL12953977 0.85 IGF1R (0.47) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL626850 0.85 LOXL2 (0.51) IGF1RCYP17A1CCR2NR3C2ATR
SCHEMBL10087555 0.85 NR3C2 (0.49) IGF1RCYP17A1CCR2GSK3BDYRK1A
SCHEMBL167992 0.85 IGF1R (0.47) IGF1RCYP17A1CCR2GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 — — 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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 IGF1R 1639/4885CYP17A1 3924/4885CCR2 2830/4885

“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.

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