SCHEMBL25656146

SCHEMBL25656146

Cc1cc2ncnc(N3CCCN(CCC#N)CC3)c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.46
AURKA O14965 3/20 0.43
POLB P06746 1/20 0.43
HTT P42858 4/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM1A O60341 1/20 0.41
KIT P10721 1/20 0.41
PDGFRB P09619 4/20 0.40

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
SCHEMBL25656144 0.88 POLB (0.47) ENPP1AURKAPOLBHTTALDH1A1
SCHEMBL23762522 0.86 ENPP1 (0.63) ENPP1AURKAACHEBACE1TLR9
SCHEMBL30079917 0.86 ENPP1 (0.63) ENPP1AURKAACHEBACE1TLR9
SCHEMBL25656147 0.85 ENPP1 (0.51) ENPP1AURKAHTTALDH1A1NPSR1
SCHEMBL25656148 0.83 ENPP1 (0.54) ENPP1AURKAHTTALDH1A1NPSR1
SCHEMBL25656143 0.82 ENPP1 (0.48) ENPP1AURKAHTTALDH1A1NPSR1
SCHEMBL25656151 0.78 ENPP1 (0.69) ENPP1AURKA
SCHEMBL15314918 0.77 PRKDC (0.52) ENPP1HTTALDH1A1NPSR1ACHE
SCHEMBL25656113 0.77 PRKDC (0.52) ENPP1HTTALDH1A1NPSR1ACHE
SCHEMBL25655997 0.77 ENPP1 (0.65) ENPP1AURKAALDH1A1TLR9TLR7

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 3497/4885POLB 533/4885

“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.