SCHEMBL16115154

SCHEMBL16115154

FC(F)(F)COc1ccncc1C1CC1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.50
GSK3A P49840 1/20 0.43
GSK3B P49841 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
SCHEMBL15776333 0.94 CNR2 (0.45) CNR2GSK3AGSK3B
Formic Acid SCHEMBL28228136 0.92 CNR2 (0.48) CNR2GSK3AGSK3B
SCHEMBL15776679 0.79 CNR2 (0.46) CNR2
SCHEMBL28026381 0.78 CNR2 (0.44) CNR2GSK3B
SCHEMBL19223929 0.74 CNR2 (0.60) CNR2
SCHEMBL15791321 0.73 MAPT (0.52) GSK3AGSK3B
SCHEMBL15733041 0.73 CYP17A1 (0.42) GSK3AGSK3B
SCHEMBL4397933 0.73 CYP17A1 (0.51) GSK3AGSK3B
SCHEMBL31754604 0.73 CYP17A1 (0.46)
SCHEMBL17316727 0.72 PTGDR2 (0.51) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
CN-105121436-B New pyridine derivate 豪夫迈·罗氏有限公司 2018-07-27 CN disclosed
EP-2978755-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2978755-A1 NOVEL PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-02-03 EP disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-01-21 US disclosed
CN-105121436-A Novel pyridine derivatives HOFFMANN LA ROCHE 2015-12-02 CN disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO 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 (3 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-10308659-B2 Pyridine derivatives NDUFS6, NDUFS4, NDUFS8 CNR2 105/4885GSK3A 2267/4885GSK3B 2049/4885
US-20160016968-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 26/4885GSK3A 2745/4885GSK3B 2504/4885
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CNR2 26/4885GSK3A 2745/4885GSK3B 2504/4885

“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.