SCHEMBL21703402

SCHEMBL21703402

Nc1nccn(Cc2cc3cc(F)ccc3n2Cc2ccc(F)cc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.42
TNIK Q9UKE5 4/20 0.40
CCR2 P41597 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
CLPP Q16740 2/20 0.37
PTGS2 P35354 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL21703400 0.94 MAP4K1 (0.43) MAP4K1CCR2MAPTCLPPUSP2
SCHEMBL21703404 0.88 MAP4K1 (0.41) MAP4K1MAPTALDH1A1MAPK1KMT2A
SCHEMBL23452851 0.87 MAP4K1 (0.42) MAP4K1CLPPCYP1A2CYP3A4CYP2C9
SCHEMBL21685636 0.85 MAP4K1 (0.41) MAP4K1
SCHEMBL21703401 0.85 MAP4K1 (0.42) MAP4K1THRBCYP3A4
SCHEMBL21703233 0.84 MAP4K1 (0.47) MAP4K1TNIKCCR2MAPTTHRB
SCHEMBL21703232 0.80 MAP4K1 (0.49) MAP4K1CCR2MAPTTHRBALDH1A1
SCHEMBL21685529 0.75 MAP4K1 (0.46) MAP4K1
SCHEMBL30467392 0.75 MAP4K1 (0.46) MAP4K1
SCHEMBL21703228 0.73 MAP4K1 (0.48) MAP4K1MAPTALDH1A1MAPK1SMN1; SMN2

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 2520/4885TNIK 1137/4885CCR2 4318/4885
US-11548892-B1 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 MAP4K1 2520/4885TNIK 1137/4885CCR2 4318/4885

“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.