SCHEMBL21703436

SCHEMBL21703436

Nc1cccn(Cc2nc3c(OCc4ccccc4)c(F)cc(F)c3[nH]2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
MAPK14 Q16539 8/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
XDH P47989 1/20 0.34
GRK2 P25098 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KDM1A O60341 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
SCHEMBL21684626 0.86 MAP4K1 (0.35) MAP4K1XDHTLR7
SCHEMBL21703438 0.86 MAP4K1 (0.41) MAP4K1MAPK14TLR7
SCHEMBL21703332 0.84 MAP4K1 (0.55) MAP4K1SMN1; SMN2MAPK14MEN1ALDH1A1
SCHEMBL21703080 0.82 MAP4K1 (0.42) MAP4K1
SCHEMBL21703079 0.80 MAP4K1 (0.42) MAP4K1
SCHEMBL21685522 0.76 MAP4K1 (0.45) MAP4K1MAPK14
SCHEMBL25948627 0.75 MAP4K1 (0.61) MAP4K1
SCHEMBL21685192 0.73 ALDH1A1 (0.42) MAP4K1SMN1; SMN2ALDH1A1HTTXDH
SCHEMBL25948635 0.73 MAP4K1 (0.46) MAP4K1MAPK14
SCHEMBL21703330 0.72 MAP4K1 (0.43) MAP4K1XDH

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 2520/4885SMN1; SMN2 2176/4885MAPK14 3990/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885SMN1; SMN2 2176/4885MAPK14 3990/4885
US-20160213763-A1 NOVEL GLYCAN CONJUGATES AND METHODS OF USE THEREOF B3GAT3, ST6GAL1, STT3A MAP4K1 1943/4885SMN1; SMN2 3550/4885MAPK14 2482/4885

“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.