SCHEMBL17971216

SCHEMBL17971216

Cc1ccc(/C(C#N)=C/c2cn(Cc3ccccc3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 5/20 0.66
▸ MAPT P10636 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ SNCA P37840 5/20 0.52
▸ THRB P10828 2/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ ENPP2 Q13822 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL17971229 0.95 APP (0.57) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17971224 0.92 APP (0.54) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17971253 0.91 ENPP2 (0.57) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17971241 0.90 APP (0.53) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17971227 0.90 APP (0.64) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17971221 0.90 ENPP2 (0.55) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL17958325 0.90 APP (0.66) APPMAPTLMNASNCATHRB
SCHEMBL16587066 0.90 APP (0.66) APPMAPTLMNASNCATHRB
SCHEMBL17971219 0.89 MAPT (0.53) APPMAPTLMNASMN1; SMN2SNCA
SCHEMBL16596375 0.88 APP (0.64) APPMAPTLMNASMN1; SMN2SNCA

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 1099/4885MAPT 327/4885LMNA 1583/4885

“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