SCHEMBL21703186

SCHEMBL21703186

Nc1cccn(Cc2nc3cc(F)ccc3n2Cc2ccc(F)cc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.50
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
RAB9A P51151 1/20 0.47
KCNK13 Q9HB14 1/20 0.41
MAP4K1 Q92918 2/20 0.41

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
SCHEMBL21684642 0.96 TBXA2R (0.48) TBXA2RAGTR1AGTR2RAB9AMAP4K1
SCHEMBL21703260 0.89 MAP4K1 (0.49) TBXA2RAGTR1AGTR2RAB9AMAP4K1
SCHEMBL21702962 0.88 MAP4K1 (0.51) TBXA2RAGTR1AGTR2MAP4K1
SCHEMBL21703339 0.87 BRD4 (0.50) TBXA2RAGTR1AGTR2RAB9AKCNK13
SCHEMBL21703266 0.86 MAP4K1 (0.52) TBXA2RAGTR1AGTR2MAP4K1
SCHEMBL21703262 0.86 MAP4K1 (0.51) TBXA2RAGTR1AGTR2MAP4K1
SCHEMBL21703263 0.85 MAP4K1 (0.51) MAP4K1
SCHEMBL21703261 0.85 MAP4K1 (0.51) MAP4K1
SCHEMBL21684490 0.84 MAP4K1 (0.48) RAB9AMAP4K1
SCHEMBL21685620 0.81 ALDH1A1 (0.55) TBXA2RAGTR1AGTR2RAB9A

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 TBXA2R 948/4885AGTR1 3163/4885AGTR2 1362/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 TBXA2R 948/4885AGTR1 3163/4885AGTR2 1362/4885

“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.