SCHEMBL21703405

SCHEMBL21703405

CC(C)Cn1c(Cn2cncc(N)c2=O)cc2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 6/20 0.52
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
PDE2A O00408 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
PADI4 Q9UM07 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 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
SCHEMBL21684756 0.84 MAP4K1 (0.41) MAP4K1HTR2AHTR2CLMNAPRKD3
SCHEMBL21702950 0.82 MAP4K1 (0.51) MAP4K1
SCHEMBL21685636 0.79 MAP4K1 (0.41) MAP4K1HTR2AHTR2CPADI4PRKD3
SCHEMBL21702963 0.75 MAP4K1 (0.43) MAP4K1
SCHEMBL25946481 0.72 MAP4K1 (0.75) MAP4K1
SCHEMBL21703264 0.72 MAP4K1 (0.50) MAP4K1
SCHEMBL21685761 0.72 MAP4K1 (0.49) MAP4K1LMNA
SCHEMBL21685511 0.71 ALDH1A1 (0.53) MAP4K1HTR2AHTR2CLMNA
SCHEMBL21703228 0.71 MAP4K1 (0.48) MAP4K1HTR2AHTR2CLMNA
SCHEMBL21684718 0.70 HTR2C (0.42) MAP4K1HTR2AHTR2CLMNAPADI4

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 3 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
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 (1 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-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885HTR2A 909/4885HTR2C 1093/4885

“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.