SCHEMBL22407367

SCHEMBL22407367

COc1cc2ncnc(N3CCC(CCNC(C)=O)CC3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.70
MAPK1 P28482 1/20 0.62
ACHE P22303 2/20 0.61
BACE1 P56817 2/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
AURKA O14965 1/20 0.54
PDGFRB P09619 6/20 0.54
PDGFRA P16234 5/20 0.54
PDE10A Q9Y233 1/20 0.54

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
SCHEMBL22291036 0.91 ENPP1 (0.72) ENPP1MAPK1ACHEBACE1SIRT2
SCHEMBL24391804 0.89 ACHE (0.57) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL29588669 0.89 ACHE (0.57) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL22455025 0.88 ENPP1 (0.66) ENPP1MAPK1ACHEBACE1SIRT2
SCHEMBL20782515 0.86 ENPP1 (0.75) ENPP1MAPK1ACHEBACE1SIRT2
SCHEMBL7274375 0.86 ENPP1 (0.65) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL21358424 0.84 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL29354481 0.84 ENPP1 (0.71) ENPP1MAPK1ACHEBACE1PDE10A
SCHEMBL7285219 0.84 ENPP1 (0.61) ENPP1MAPK1ACHEBACE1AURKA
SCHEMBL10800770 0.84 ENPP1 (0.61) ENPP1MAPK1ACHEBACE1AURKA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 US disclosed
US-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2020-09-17 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 (2 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-20200291024-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885ACHE 2363/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885MAPK1 2004/4885ACHE 2363/4885

“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.