SCHEMBL17971219

SCHEMBL17971219

Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccccc3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ APP P05067 2/20 0.53
▸ PTGDR2 Q9Y5Y4 3/20 0.45
▸ KCNA3 P22001 1/20 0.43
▸ PDE4A P27815 3/20 0.43
▸ PDE4B Q07343 3/20 0.43
▸ PDE4C Q08493 3/20 0.43
▸ PDE4D Q08499 3/20 0.43
▸ THRB P10828 1/20 0.42
▸ SNCA P37840 2/20 0.41
▸ ENPP2 Q13822 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL17971223 0.94 MAPT (0.50) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL19156069 0.92 MAPT (0.57) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17958327 0.91 APP (0.53) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596241 0.91 APP (0.53) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971216 0.89 APP (0.66) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596307 0.89 APP (0.51) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL19156093 0.87 MAPT (0.55) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596257 0.86 ENPP2 (0.51) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971218 0.85 ENPP2 (0.49) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971229 0.84 APP (0.57) MAPTLMNASMN1; SMN2APPPTGDR2

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 MAPT 327/4885LMNA 1583/4885SMN1; SMN2 2623/4885

“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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