SCHEMBL17968554

SCHEMBL17968554

N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ncccc12)c1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.74
▸ APP P05067 5/20 0.59
▸ SNCA P37840 4/20 0.59
▸ KMT2A Q03164 3/20 0.54
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PABPC1 P11940 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PDE4A P27815 1/20 0.44

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
SCHEMBL17968556 1.00 ENPP2 (0.74) ENPP2APPSNCAKMT2ACNR1
SCHEMBL17968561 0.85 ENPP2 (1.00) ENPP2APPSNCAKMT2AMEN1
SCHEMBL17968559 0.85 ENPP2 (1.00) ENPP2APPSNCAKMT2AMEN1
SCHEMBL24164296 0.84 APP (0.64) ENPP2APPSNCAKMT2ACNR1
SCHEMBL17958368 0.84 APP (0.72) ENPP2APPSNCAKMT2AMEN1
SCHEMBL16596318 0.84 APP (0.72) ENPP2APPSNCAKMT2AMEN1
SCHEMBL17968565 0.84 ENPP2 (1.00) ENPP2APPSNCAKMT2AMEN1
SCHEMBL17968563 0.84 ENPP2 (1.00) ENPP2APPSNCAKMT2AMEN1
SCHEMBL17958293 0.82 ENPP2 (0.67) ENPP2APPSNCAKMT2AMEN1
SCHEMBL16596378 0.82 ENPP2 (0.67) ENPP2APPSNCAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951026-B2 Heterocyclic vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-04-24 — — US disclosed
US-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-11 — — 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-20160229809-A1 HETEROCYCLIC VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, UACA ENPP2 1/4885APP 1280/4885SNCA 2428/4885

“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.

Send feedback