SCHEMBL21702992

SCHEMBL21702992

Nc1cccn(Cc2nc3cccc(OCC(F)F)c3s2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.52
PDE8A O60658 1/20 0.32
ELANE P08246 1/20 0.32
KDM4E B2RXH2 3/20 0.32
S1PR2 O95136 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 3/20 0.32
GAA P10253 3/20 0.32
HPGD P15428 3/20 0.32
RAB9A P51151 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
ATM Q13315 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
AKR1B1 P15121 3/20 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
SCHEMBL25947188 0.86 MAP4K1 (0.39) MAP4K1ELANEKDM4ES1PR2ALDH1A1
SCHEMBL21702994 0.85 MAP4K1 (0.40) MAP4K1ELANEKDM4ES1PR2ALDH1A1
SCHEMBL21702985 0.84 MAP4K1 (0.52) MAP4K1ELANEKDM4ES1PR2ALDH1A1
SCHEMBL25947354 0.83 MAP4K1 (0.40) MAP4K1ELANEKDM4ES1PR2ALDH1A1
SCHEMBL21684882 0.81 MAPK14 (0.47) MAP4K1
SCHEMBL21703326 0.79 EGLN1 (0.39) MAP4K1ELANEKDM4ES1PR2ALDH1A1
SCHEMBL25947458 0.77 MAP4K1 (0.61) MAP4K1ALDH1A1
SCHEMBL31304006 0.76 DHFR (0.50) MAP4K1KDM4EALDH1A1GAAHPGD
SCHEMBL21684178 0.76 DHFR (0.50) MAP4K1KDM4EALDH1A1GAAHPGD
SCHEMBL21685793 0.75 TLR8 (0.37) MAP4K1ELANEKDM4ES1PR2ALDH1A1

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 2520/4885PDE8A 3165/4885ELANE 2815/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885PDE8A 3165/4885ELANE 2815/4885

“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.