SCHEMBL25656100

SCHEMBL25656100

Cc1cc2ncnc(N3CCCN(C(=O)OC(C)(C)C)CC3)c2cc1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.53
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
ENPP1 P22413 4/20 0.47
MAP4K4 O95819 1/20 0.47
AURKA O14965 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
PDGFRB P09619 5/20 0.45
PDGFRA P16234 2/20 0.45
TLR9 Q9NR96 2/20 0.45
PDE10A Q9Y233 1/20 0.44
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL23726903 0.87 ACHE (0.67) KITACHEBACE1ENPP1AURKA
SCHEMBL17030841 0.87 KIT (0.53) KITACHEBACE1MAP4K4MEN1
SCHEMBL31029781 0.87 KIT (0.53) KITACHEBACE1ENPP1MAP4K4
SCHEMBL30902145 0.87 KIT (0.53) KITACHEBACE1ENPP1MAP4K4
SCHEMBL17030847 0.87 KIT (0.53) KITACHEBACE1MAP4K4MEN1
SCHEMBL22029140 0.85 KIT (0.52) KITACHEBACE1ENPP1MAP4K4
SCHEMBL30826971 0.85 KIT (0.52) KITACHEBACE1ENPP1MAP4K4
SCHEMBL30080209 0.85 TLR9 (0.65) KITACHEBACE1ENPP1AURKA
SCHEMBL23726540 0.85 TLR9 (0.65) KITACHEBACE1ENPP1AURKA
SCHEMBL25656163 0.84 ENPP1 (0.54) KITACHEBACE1ENPP1AURKA

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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF STINGRAY THERAPEUTICS INC (US) 2023-06-15 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-20230183212-A1 INHIBITORS OF ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) AND METHODS OF USE THEREOF ENPP1, ENPP3, PPA1 KIT 4739/4885ACHE 939/4885BACE1 1502/4885

“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.