SCHEMBL25656018

SCHEMBL25656018

Cc1cc2ncc(C#N)c(N3CCCN(C(=O)CCNS(C)(=O)=O)CC3)c2cc1C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.59
LRRK2 Q5S007 4/20 0.47
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL25656178 0.92 ENPP1 (0.68) ENPP1LRRK2KDM4EALDH1A1
SCHEMBL25656176 0.86 ENPP1 (0.58) ENPP1LRRK2KDM4EALDH1A1KMT2A
SCHEMBL25656173 0.85 ENPP1 (0.80) ENPP1LRRK2KDM4EALDH1A1KMT2A
SCHEMBL25656172 0.84 ENPP1 (0.58) ENPP1LRRK2KDM4EALDH1A1KMT2A
SCHEMBL25656016 0.84 ENPP1 (0.61) ENPP1LRRK2PIK3CAMTORPIK3CG
SCHEMBL25656171 0.84 ENPP1 (0.59) ENPP1LRRK2KDM4EALDH1A1KMT2A
SCHEMBL25656175 0.83 ENPP1 (0.53) ENPP1LRRK2KDM4EALDH1A1KMT2A
SCHEMBL25656015 0.82 ENPP1 (0.68) ENPP1LRRK2PIK3CAMTORPIK3CG
SCHEMBL23762357 0.82 ENPP1 (0.85) ENPP1
SCHEMBL23726086 0.81 ENPP1 (0.71) ENPP1

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 1/4885LRRK2 3715/4885PIK3CA 503/4885

“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.