SCHEMBL20512225

SCHEMBL20512225

Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1cc(C(F)(F)F)ccc1C#CC1CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 1/20 0.30

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
SCHEMBL30836047 0.84 EPHX2 (0.36) MAPTEPHX2
SCHEMBL28649530 0.82 KCNH2 (0.37) —
SCHEMBL28658591 0.77 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL28653697 0.72 MAPT (0.39) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL12539750 0.71 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL20636696 0.69 MAPK1 (0.42) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL28650183 0.69 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL28670348 0.69 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19MAPTMAPK1
SCHEMBL1535538 0.68 RAPGEF4 (0.36) —
SCHEMBL28650491 0.68 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19MAPTMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963851-B Fused bicyclic pyridine compounds and their use as AMPA receptor modulators 詹森药业有限公司 2021-11-30 — — CN disclosed
EP-3532477-B1 FUSED BICYLIC PYRIDINE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-08-26 — — EP disclosed
US-10087185-B2 Fused bicylic pyridine compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2018-10-02 — — 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-10087185-B2 Fused bicylic pyridine compounds and their use as AMPA receptor modulators GRIN1, GRIN3A, GRM1 CYP1A2 1655/4885CYP3A4 868/4885CYP2C19 955/4885

“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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