SCHEMBL21164256

SCHEMBL21164256

Cn1ncc(N)c1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
LPAR1 Q92633 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPKAPK2 P49137 3/20 0.36
MAPK14 Q16539 1/20 0.36
NAMPT P43490 1/20 0.36
MAP4K4 O95819 1/20 0.36
HDAC1 Q13547 1/20 0.35
CYP17A1 P05093 1/20 0.35
ATR Q13535 1/20 0.35
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL14116756 0.82 CA1 (0.38) GSK3BDYRK1ALPAR1CA1CA2
SCHEMBL20540560 0.82 ALDH1A1 (0.45) GSK3BDYRK1ALPAR1CA1CA2
SCHEMBL20772872 0.82 GSK3B (0.39) GSK3BDYRK1ALPAR1CA1CA2
SCHEMBL9899981 0.82 MEN1 (0.51) GSK3BDYRK1ALPAR1CA1CA2
SCHEMBL4594824 0.81 LPAR1 (0.39) GSK3BDYRK1ALPAR1MAPK14NAMPT
SCHEMBL21164202 0.79 GSK3B (0.37) GSK3BDYRK1ALPAR1MAPK14NAMPT
SCHEMBL6328501 0.78 GSK3B (0.35) GSK3BDYRK1ALPAR1CA1CA2
SCHEMBL2525449 0.78 KDM1A (0.41) KMT2A
SCHEMBL2525451 0.78 KDM1A (0.41) KMT2A
SCHEMBL18133987 0.77 MEN1 (0.43) MEN1GAAKMT2A

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 525/4885LPAR1 4217/4885

“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.