SCHEMBL17971225

SCHEMBL17971225

Cc1ccc(/C(C#N)=C/c2cn(Cc3cnn(C)c3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.49
▸ MAPT P10636 6/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.44
▸ ENPP2 Q13822 4/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SNCA P37840 4/20 0.38
▸ TP53 P04637 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL19156158 0.93 MAPT (0.51) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL16596282 0.91 ENPP2 (0.53) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17958326 0.91 ENPP2 (0.53) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971229 0.90 APP (0.57) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971241 0.87 APP (0.53) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971224 0.87 APP (0.54) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971216 0.87 APP (0.66) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971226 0.85 APP (0.49) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971217 0.85 APP (0.49) APPMAPTSMN1; SMN2LMNATHRB
SCHEMBL17971221 0.85 ENPP2 (0.55) APPMAPTSMN1; SMN2LMNATHRB

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 327/4885SMN1; 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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