SCHEMBL21703259

SCHEMBL21703259

Nc1cncn(Cc2nc3cc(F)ccc3n2CC2CC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.51
PLK1 P53350 1/20 0.40
CNR2 P34972 10/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL21703261 0.86 MAP4K1 (0.51) MAP4K1PLK1CNR2
SCHEMBL21703264 0.85 MAP4K1 (0.50) MAP4K1PLK1
SCHEMBL25943953 0.84 MAP4K1 (0.56) MAP4K1PLK1CNR2
SCHEMBL21703258 0.83 MAP4K1 (0.52) MAP4K1
SCHEMBL21702950 0.83 MAP4K1 (0.51) MAP4K1
SCHEMBL21702951 0.83 MAP4K1 (0.50) MAP4K1HDAC1
SCHEMBL21685761 0.81 MAP4K1 (0.49) MAP4K1
SCHEMBL21684651 0.73 MAP4K1 (0.47) MAP4K1
SCHEMBL21703186 0.70 TBXA2R (0.50) MAP4K1
SCHEMBL21703260 0.70 MAP4K1 (0.49) 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 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 2520/4885PLK1 3094/4885CNR2 3766/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885PLK1 3094/4885CNR2 3766/4885

“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.