SCHEMBL17971226

SCHEMBL17971226

Cc1ccc(/C(C#N)=C/c2cn(Cc3ccc(C)nc3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.49
▸ ENPP2 Q13822 4/20 0.46
▸ MAPT P10636 6/20 0.46
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SNCA P37840 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL17971217 0.93 APP (0.49) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971254 0.92 ENPP2 (0.56) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971229 0.92 APP (0.57) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971246 0.90 ENPP2 (0.57) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971238 0.89 ENPP2 (0.49) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971261 0.88 ENPP2 (0.56) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971221 0.87 ENPP2 (0.55) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971241 0.87 APP (0.53) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971216 0.87 APP (0.66) APPENPP2MAPTTHRBSMN1; SMN2
SCHEMBL17971224 0.87 APP (0.54) APPENPP2MAPTTHRBSMN1; SMN2

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 APP 1099/4885ENPP2 1/4885MAPT 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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