SCHEMBL20775145

SCHEMBL20775145

COc1ccc2c(-c3ccc(CN)cc3)ccnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.44
LOX P28300 1/20 0.44
ENPP1 P22413 2/20 0.43
ENPP3 O14638 1/20 0.39
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ADRB2 P07550 1/20 0.37
GRM2 Q14416 2/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK1 Q13464 1/20 0.36
AKT2 P31751 1/20 0.35
FYN P06241 2/20 0.35
PRKCI P41743 1/20 0.35

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
Hydrochloric Acid SCHEMBL20774971 0.99 LOXL2 (0.43) LOXL2LOXENPP1ENPP3CLK1
SCHEMBL20782754 0.88 ENPP1 (0.44) ENPP1ENPP3CLK1CLK2CLK3
SCHEMBL28895919 0.82 ENPP1 (0.45) ENPP1ENPP3GRM2FYN
SCHEMBL20782680 0.81 ENPP1 (0.64) ENPP1ENPP3GRM2
SCHEMBL24010177 0.80 ENPP1 (0.41) ENPP1ENPP3CLK1CLK2CLK3
SCHEMBL22407525 0.80 ENPP1 (0.43) ENPP1ENPP3CLK1CLK2CLK3
SCHEMBL28434081 0.80 CLK1 (0.41) ENPP1ENPP3CLK1CLK2CLK3
SCHEMBL13607692 0.78 LOXL2 (0.44) LOXL2LOXENPP1ENPP3ADRB2
Hydrochloric Acid SCHEMBL28434106 0.78 CLK1 (0.40) ENPP1ENPP3CLK1CLK2CLK3
SCHEMBL20771271 0.77 ENPP1 (0.43) ENPP1GRM2

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 5 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
EP-3676254-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF AbbVie Inc. (US) 2020-07-08 EP 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 LOXL2 2207/4885LOX 1142/4885ENPP1 1/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 LOXL2 2207/4885LOX 1142/4885ENPP1 1/4885

“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.