SCHEMBL21703330

SCHEMBL21703330

Nc1cccn(Cc2nc3c(Oc4ccccc4)c(F)c(F)cc3[nH]2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.43
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
RHEB Q15382 1/20 0.31
XDH P47989 1/20 0.31
PTGER3 P43115 1/20 0.31
PDPK1 O15530 1/20 0.31
MTOR P42345 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL21703332 0.87 MAP4K1 (0.55) MAP4K1XDH
SCHEMBL21685623 0.86 MAP4K1 (0.56) MAP4K1
SCHEMBL21703328 0.84 MAP4K1 (0.55) MAP4K1PDPK1KCNH2
SCHEMBL21684626 0.83 MAP4K1 (0.35) MAP4K1XDHPTGER3KCNH2
SCHEMBL21703333 0.81 MAP4K1 (0.43) MAP4K1
SCHEMBL21685603 0.73 MAP4K1 (0.53) MAP4K1
SCHEMBL21703436 0.72 MAP4K1 (0.41) MAP4K1XDH
SCHEMBL21684959 0.71 F10 (0.36) MAP4K1PTGER3KCNH2
SCHEMBL31303992 0.71 F10 (0.36) MAP4K1PTGER3KCNH2
SCHEMBL21702915 0.70 HTT (0.49)

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 2520/4885GRIN1 1157/4885GRIN2B 628/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885GRIN1 1157/4885GRIN2B 628/4885

“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.