SCHEMBL20782842

SCHEMBL20782842

COc1cc2ncnc(N3CCN(C(=O)CN)CC3)c2cc1OC

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.74
ACHE P22303 2/20 0.74
BACE1 P56817 2/20 0.74
AURKA O14965 1/20 0.71
PDGFRB P09619 13/20 0.64
PDGFRA P16234 6/20 0.62
KIT P10721 2/20 0.61
FLT3 P36888 2/20 0.61

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
SCHEMBL30446749 1.00 ENPP1 (0.74) ENPP1ACHEBACE1AURKAPDGFRB
Hydrochloric Acid SCHEMBL20770875 0.99 ENPP1 (0.73) ENPP1ACHEBACE1AURKAPDGFRB
Hydrochloric Acid SCHEMBL23726139 0.95 ENPP1 (0.73) ENPP1ACHEBACE1AURKAPDGFRB
Hydrochloric Acid SCHEMBL30080206 0.95 ENPP1 (0.73) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL28430000 0.87 ENPP1 (0.69) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL22436064 0.85 ENPP1 (0.70) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL24016388 0.85 ENPP1 (1.00) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL31502040 0.85 ENPP1 (1.00) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL20771006 0.84 ENPP1 (0.69) ENPP1ACHEBACE1AURKAPDGFRB
SCHEMBL2915714 0.84 ACHE (0.80) ENPP1ACHEBACE1AURKAPDGFRB

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 6 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-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
WO-2019046778-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF MAVUPHARMA, INC. (US) 2019-03-07 WO 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 1/4885ACHE 2363/4885BACE1 1830/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 ENPP1 1/4885ACHE 2363/4885BACE1 1830/4885

“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.