SCHEMBL21703366

SCHEMBL21703366

CC(C)Cc1ncc(F)c2nc(Cn3c(CC(C)C)ccc(N)c3=O)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 3/20 0.49
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
CYP2C9 P11712 1/20 0.30
NOS3 P29474 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
SCHEMBL21703422 0.94 MAP4K1 (0.48) MAP4K1
SCHEMBL21703044 0.93 MAP4K1 (0.56) MAP4K1
SCHEMBL21703421 0.93 MAP4K1 (0.47) MAP4K1
SCHEMBL30467399 0.92 MAP4K1 (0.49) MAP4K1
SCHEMBL21685832 0.92 MAP4K1 (0.49) MAP4K1
SCHEMBL21703379 0.91 MAP4K1 (0.45) MAP4K1NOS1NOS2CYP2C9NOS3
SCHEMBL21703423 0.89 MAP4K1 (0.44) MAP4K1
SCHEMBL21685688 0.88 MAP4K1 (0.43) MAP4K1
SCHEMBL25952333 0.87 MAP4K1 (0.55) MAP4K1
SCHEMBL21703426 0.84 MAP4K1 (0.43) MAP4K1NOS1NOS2CYP2C9NOS3

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 2520/4885NOS1 2395/4885NOS2 1447/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885NOS1 2395/4885NOS2 1447/4885

“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.