SCHEMBL25656153

SCHEMBL25656153

Cc1cc2ncc(C#N)c(N3CCCN(CCN)CC3)c2cc1C

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 9/20 0.55
LRRK2 Q5S007 4/20 0.52
CHRM4 P08173 1/20 0.42
PDGFRB P09619 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MELK Q14680 1/20 0.39
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
SCHEMBL25656157 0.94 ENPP1 (0.58) ENPP1LRRK2CHRM4PDGFRBSRC
SCHEMBL23726518 0.87 ENPP1 (0.72) ENPP1LRRK2PDGFRBSRC
SCHEMBL30080119 0.87 ENPP1 (0.72) ENPP1LRRK2PDGFRBSRC
SCHEMBL25656156 0.85 ENPP1 (0.72) ENPP1LRRK2PDGFRB
SCHEMBL25656016 0.83 ENPP1 (0.61) ENPP1LRRK2PDGFRBABCB1ABCC1
SCHEMBL25656160 0.83 ENPP1 (0.80) ENPP1LRRK2PDGFRBSRC
SCHEMBL25656104 0.83 LRRK2 (0.57) ENPP1LRRK2CHRM4ABCB1ABCC1
SCHEMBL25656154 0.82 ENPP1 (0.80) ENPP1LRRK2PDGFRBSRC
SCHEMBL25656015 0.82 ENPP1 (0.68) ENPP1LRRK2PDGFRBSRC
SCHEMBL30080137 0.81 ENPP1 (0.75) ENPP1PDGFRBSRC

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 3715/4885CHRM4 4366/4885

“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.