SCHEMBL21703333

SCHEMBL21703333

Nc1cccn(Cc2nc3c(OCc4ccc(F)cc4F)c(F)c(F)cc3[nH]2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.43
MAPK14 Q16539 9/20 0.40
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
BRD4 O60885 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
SCHEMBL25948174 0.88 MAP4K1 (0.49) MAP4K1MAPK14
SCHEMBL21703332 0.86 MAP4K1 (0.55) MAP4K1MAPK14
SCHEMBL21685623 0.85 MAP4K1 (0.56) MAP4K1BRD4
SCHEMBL21703438 0.85 MAP4K1 (0.41) MAP4K1MAPK14CYP1A1CYP1A2CYP1B1
SCHEMBL21703359 0.81 MAP4K1 (0.49) MAP4K1MAPK14CYP1A1CYP1A2CYP1B1
SCHEMBL21703328 0.81 MAP4K1 (0.55) MAP4K1
SCHEMBL21703330 0.81 MAP4K1 (0.43) MAP4K1
SCHEMBL21703004 0.80 DHFR (0.44) MAP4K1MAPK14
SCHEMBL25942399 0.74 MAP4K1 (0.44) MAP4K1MAPK14
SCHEMBL25942449 0.74 MAP4K1 (0.45) MAP4K1MAPK14

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 2520/4885MAPK14 3990/4885CYP1A1 4408/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885MAPK14 3990/4885CYP1A1 4408/4885

“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.