SCHEMBL20049929

SCHEMBL20049929

CN1C(=O)C(NC(=O)OC(C)(C)C)COc2ccc(C(=O)NCCN3CCCC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
CD274 Q9NZQ7 1/20 0.45
RIPK1 Q13546 7/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTR3A P46098 1/20 0.42
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL15964762 1.00 HPGD (0.48) HPGDCD274RIPK1DRD2DRD3
SCHEMBL15964689 0.86 RIPK1 (0.43) RIPK1
SCHEMBL15964763 0.86 RIPK1 (0.43) RIPK1
SCHEMBL18419877 0.86 RIPK1 (0.43) RIPK1
SCHEMBL15964576 0.86 RIPK1 (0.48) RIPK1
SCHEMBL29271353 0.84 RIPK1 (0.44) HPGDRIPK1ALDH1A1
SCHEMBL15956723 0.83 RIPK1 (0.48) RIPK1
SCHEMBL17321245 0.83 RIPK1 (0.44) RIPK1
SCHEMBL15956092 0.83 RIPK1 (0.48) RIPK1
SCHEMBL31437561 0.82 RIPK1 (0.45) RIPK1

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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 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-20180098998-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 HPGD 3850/4885CD274 2882/4885RIPK1 387/4885

“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.