SCHEMBL21703079

SCHEMBL21703079

Nc1cccn(Cc2nc3c(Oc4ccc(F)cc4F)c(F)cc(F)c3[nH]2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.42
BRD4 O60885 6/20 0.36
BRD2 P25440 2/20 0.36
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
MET P08581 4/20 0.34
AXL P30530 2/20 0.34
HSPB1 P04792 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAP4K4 O95819 1/20 0.32

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 0.85 MAP4K1 (0.35) MAP4K1
SCHEMBL21703438 0.85 MAP4K1 (0.41) MAP4K1BRD4
SCHEMBL21685623 0.84 MAP4K1 (0.56) MAP4K1BRD4BRD2NPBWR1MCHR1
SCHEMBL21703298 0.83 MAP4K1 (0.40) MAP4K1BRD4METAXL
SCHEMBL21703080 0.82 MAP4K1 (0.42) MAP4K1
SCHEMBL21703436 0.80 MAP4K1 (0.41) MAP4K1
SCHEMBL21703004 0.77 DHFR (0.44) MAP4K1
SCHEMBL21685192 0.72 ALDH1A1 (0.42) MAP4K1
SCHEMBL25948635 0.72 MAP4K1 (0.46) MAP4K1
SCHEMBL21703333 0.72 MAP4K1 (0.43) MAP4K1BRD4

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2520/4885BRD4 1464/4885BRD2 611/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885BRD4 1464/4885BRD2 611/4885

“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.