SCHEMBL21164202

SCHEMBL21164202

COC(=O)Nc1cnn(C)c1NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
ATR Q13535 1/20 0.36
LPAR1 Q92633 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
MAPK14 Q16539 1/20 0.35
NAMPT P43490 1/20 0.34
METAP1 P53582 1/20 0.34
HPGD P15428 1/20 0.34
CNR2 P34972 2/20 0.34
IDO1 P14902 1/20 0.33
CYP17A1 P05093 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33

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
SCHEMBL28401738 0.82 MEN1 (0.42) LPAR1HPGDCNR2MEN1HTT
SCHEMBL2173526 0.81 MAPK1 (0.41) GSK3BDYRK1ABRD9MAPK14NAMPT
SCHEMBL24255818 0.80 CNR2 (0.53) GSK3BDYRK1AATRBRD9ITGA4
SCHEMBL20540427 0.80 CCNC (0.37) GSK3BDYRK1ALPAR1BRD9ITGA4
SCHEMBL22322779 0.79 CNR2 (0.40) GSK3BDYRK1AATRBRD9MAPK14
SCHEMBL18366036 0.79 GSK3B (0.39) GSK3BDYRK1AATRBRD9ITGA4
SCHEMBL21164256 0.79 GSK3B (0.39) GSK3BDYRK1AATRLPAR1ITGA4
SCHEMBL23009294 0.79 ATR (0.40) GSK3BDYRK1AATRBRD9MAPK14
SCHEMBL20772872 0.79 GSK3B (0.39) GSK3BDYRK1AATRLPAR1ITGA4
SCHEMBL22952416 0.79 GSK3B (0.39) GSK3BDYRK1AATRBRD9ITGA4

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-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives SANDOZ AG (CH) 2019-07-16 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-10351533-B2 Process for the preparation of carbamoylamino pyrazole derivatives PAICS, PPOX, DDC GSK3B 2577/4885DYRK1A 525/4885ATR 754/4885

“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.