SCHEMBL21703441

SCHEMBL21703441

CC(C)Oc1ncnc2c1nc(Cn1cccc(N)c1=O)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 14/20 0.46
PIK3CD O00329 4/20 0.35
ATR Q13535 1/20 0.35
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 1/20 0.33
PRKDC P78527 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ELANE P08246 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
SCHEMBL21703439 0.90 MAP4K1 (0.46) MAP4K1PIK3CD
SCHEMBL21685878 0.87 MAP4K1 (0.47) MAP4K1PIK3CD
SCHEMBL21703440 0.83 MAP4K1 (0.63) MAP4K1
SCHEMBL21702935 0.81 MAP4K1 (0.40) MAP4K1PI4KB
SCHEMBL21703146 0.81 MAP4K1 (0.47) MAP4K1
SCHEMBL21703144 0.80 MAP4K1 (0.39) MAP4K1PIK3CDABL1EGFRHCK
SCHEMBL21703145 0.77 MAP4K1 (0.45) MAP4K1
SCHEMBL21703341 0.77 MAP4K1 (0.60) MAP4K1ATRELANE
SCHEMBL21685654 0.75 MAP4K1 (0.45) MAP4K1ELANE
SCHEMBL21685128 0.73 MAP4K1 (0.53) MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2023-01-10 US disclosed
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US disclosed
WO-2020033784-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. (US) 2020-02-13 WO disclosed
US-20160213763-A1 NOVEL GLYCAN CONJUGATES AND METHODS OF USE THEREOF ACADEMIA SINICA (TW) 2016-07-28 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 (3 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885PIK3CD 3209/4885ATR 4092/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885PIK3CD 3209/4885ATR 4092/4885
US-20160213763-A1 NOVEL GLYCAN CONJUGATES AND METHODS OF USE THEREOF B3GAT3, ST6GAL1, STT3A MAP4K1 1943/4885PIK3CD 1006/4885ATR 2976/4885

“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.