SCHEMBL17971242

SCHEMBL17971242

Cc1ccc(/C(C#N)=C/c2cn(Cc3cc(C)cc(C(F)(F)F)c3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.52
▸ APP P05067 4/20 0.48
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ SNCA P37840 4/20 0.37
▸ TP53 P04637 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL17971252 0.93 ENPP2 (0.62) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL17971229 0.88 APP (0.57) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL17971224 0.87 APP (0.54) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL17958300 0.87 ENPP2 (0.69) ENPP2APPMAPTTHRBPTGDR2
SCHEMBL16596281 0.87 ENPP2 (0.69) ENPP2APPMAPTTHRBPTGDR2
SCHEMBL16596376 0.86 ENPP2 (0.56) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL19156065 0.85 APP (0.53) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL17971221 0.85 ENPP2 (0.55) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL17971216 0.85 APP (0.66) ENPP2APPMAPTSMN1; SMN2LMNA
SCHEMBL26552282 0.84 PTGDR2 (0.49) ENPP2APPMAPTSMN1; SMN2LMNA

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-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 — — US disclosed
US-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS DF 2024 IP ACQUISITION, LLC 2016-08-04 — — 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-20160222000-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS ENPP2, SERPINB1, SERPINB10 ENPP2 1/4885APP 1099/4885MAPT 327/4885

“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.

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