SCHEMBL25656158

SCHEMBL25656158

Cc1cc2ncc(C#N)c(N3CCCN(CCCN4C(=O)c5ccccc5C4=O)CC3)c2cc1C

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.72
HTR1A P08908 8/20 0.45
LRRK2 Q5S007 2/20 0.44
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
MAOB P27338 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL25656154 0.95 ENPP1 (0.80) ENPP1HTR1ALRRK2SRC
SCHEMBL30117257 0.89 ENPP1 (0.91) ENPP1HTR1ADRD2DRD3HTR7
SCHEMBL23726534 0.89 ENPP1 (0.91) ENPP1HTR1ADRD2DRD3HTR7
SCHEMBL30117251 0.84 ENPP1 (1.00) ENPP1HTR1ASRCKDM4EALDH1A1
SCHEMBL23727241 0.84 ENPP1 (1.00) ENPP1HTR1ASRCKDM4EALDH1A1
SCHEMBL25656157 0.82 ENPP1 (0.58) ENPP1LRRK2SRC
SCHEMBL29055078 0.81 ENPP1 (0.76) ENPP1SRC
SCHEMBL30080157 0.81 ENPP1 (0.76) ENPP1SRC
SCHEMBL25656153 0.80 ENPP1 (0.55) ENPP1LRRK2SRC
SCHEMBL25656015 0.79 ENPP1 (0.68) ENPP1LRRK2SRC

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 1/4885HTR1A 4404/4885LRRK2 3715/4885

“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.