SCHEMBL25656015

SCHEMBL25656015

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

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 10/20 0.68
LRRK2 Q5S007 4/20 0.48
PDGFRB P09619 3/20 0.42
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
SRC P12931 2/20 0.39

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
SCHEMBL25656016 0.95 ENPP1 (0.61) ENPP1LRRK2PDGFRBPIK3CAMTOR
SCHEMBL25656160 0.92 ENPP1 (0.80) ENPP1LRRK2PDGFRBSRC
SCHEMBL25656156 0.86 ENPP1 (0.72) ENPP1LRRK2PDGFRB
SCHEMBL25656157 0.84 ENPP1 (0.58) ENPP1LRRK2PDGFRBSRC
SCHEMBL25656018 0.82 ENPP1 (0.59) ENPP1LRRK2PIK3CAMTORPIK3CG
SCHEMBL25656153 0.82 ENPP1 (0.55) ENPP1LRRK2PDGFRBSRC
SCHEMBL23762269 0.81 ENPP1 (1.00) ENPP1PDGFRBSRC
SCHEMBL23726774 0.80 ENPP1 (0.79) ENPP1PDGFRBSRC
SCHEMBL25655997 0.79 ENPP1 (0.65) ENPP1PIK3CAMTOR
SCHEMBL25656008 0.78 ENPP1 (0.67) ENPP1LRRK2

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 3715/4885PDGFRB 2045/4885

“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.