SCHEMBL25656111

SCHEMBL25656111

Cc1cc2c(N3CCCCCC3)ncnc2cc1OCC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.64
AURKA O14965 1/20 0.50
LMNA P02545 1/20 0.48
ACHE P22303 3/20 0.48
BACE1 P56817 3/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
MAPK1 P28482 1/20 0.47
PDGFRB P09619 2/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
PDGFRA P16234 1/20 0.43
KDM1A O60341 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
SCHEMBL25656110 0.90 ENPP1 (0.80) ENPP1AURKAACHEBACE1MAPK1
SCHEMBL25656114 0.88 ENPP1 (0.67) ENPP1AURKALMNAACHEBACE1
SCHEMBL25656115 0.80 ENPP1 (0.50) ENPP1AURKALMNAACHEBACE1
SCHEMBL23762310 0.78 ENPP1 (1.00) ENPP1AURKAACHEBACE1MAPK1
Hydrochloric Acid SCHEMBL30079921 0.77 ENPP1 (0.98) ENPP1AURKAACHEBACE1MAPK1
Hydrochloric Acid SCHEMBL23727134 0.77 ENPP1 (0.98) ENPP1AURKAACHEBACE1MAPK1
SCHEMBL15314918 0.77 PRKDC (0.52) ENPP1LMNAACHEBACE1MAPK1
SCHEMBL25656113 0.77 PRKDC (0.52) ENPP1LMNAACHEBACE1MAPK1
SCHEMBL23762321 0.77 ENPP1 (0.81) ENPP1AURKAACHEBACE1MAPK1
SCHEMBL15314919 0.75 PRKDC (0.48) ENPP1AURKALMNAACHEBACE1

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 ENPP1 1/4885AURKA 3497/4885LMNA 3401/4885

“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.