SCHEMBL23453060

SCHEMBL23453060

CC(C)(C)Nc1cccc2[nH]c(Cn3cccc(N)c3=O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.38
CHEK1 O14757 1/20 0.38
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CACNA1H O95180 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL23452764 0.85 MAP4K1 (0.42) MAP4K1CHEK1ELANESMN1; SMN2PKM
SCHEMBL23453061 0.81 MAP4K1 (0.39) MAP4K1CHEK1ELANEMEN1KMT2A
SCHEMBL21684855 0.80 CHEK1 (0.42) MAP4K1CHEK1ELANESMN1; SMN2KDM4E
SCHEMBL21685676 0.79 MAP4K1 (0.40) MAP4K1CHEK1ELANEMEN1KMT2A
SCHEMBL21685548 0.79 MAP4K1 (0.43) MAP4K1CHEK1ELANEMEN1KMT2A
SCHEMBL21703026 0.78 MAP4K1 (0.50) MAP4K1CHEK1ELANEKDM4EALDH1A1
SCHEMBL21703008 0.76 MAP4K1 (0.40) MAP4K1CHEK1ELANEMEN1KMT2A
SCHEMBL21685422 0.75 MAP4K1 (0.53) MAP4K1CHEK1ELANE
SCHEMBL21685880 0.75 MAP4K1 (0.42) MAP4K1CHEK1ELANEMEN1KMT2A
SCHEMBL21703001 0.74 MAP4K1 (0.42) MAP4K1CHEK1ELANE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC. 2021-06-03 US 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-20210163480-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 MAP4K1 2520/4885CHEK1 2519/4885ELANE 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.