SCHEMBL1912349

SCHEMBL1912349

CC(C)(C)OC(=O)c1ccc(-c2cccc(F)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.51
GABRG2 P18507 7/20 0.51
GABRB3 P28472 7/20 0.51
GABRA5 P31644 7/20 0.51
GABRA3 P34903 7/20 0.51
GABRA2 P47869 7/20 0.51
GABRA6 Q16445 6/20 0.51
GABRA4 P48169 3/20 0.51
HPGDS O60760 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRE P78334 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
F2R P25116 1/20 0.44
RPS6KB1 P23443 1/20 0.43
CSNK1D P48730 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
SCHEMBL13732052 0.85 GABRG2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16675788 0.83 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13732048 0.81 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31723056 0.79 GABRG2 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL486067 0.78 KMO (0.59) HPGDSCSNK1DGSK3AGSK3BDYRK1A
SCHEMBL13555964 0.77 GRM5 (0.67) MAP4K4CHEK2GRM5KMOESR2
SCHEMBL31188315 0.77 MKNK1 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31188346 0.77 GABRG2 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2264260 0.73 ESR2 (0.44) HPGDSESR2
SCHEMBL2109080 0.73 GSK3B (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2588453-B1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2015-04-01 EP disclosed
CN-102958917-B Compositions and methods for modulating the wnt signaling pathway IRM LLC (BM) 2014-10-08 CN disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
US-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY NOVARTIS AG (CH) 2013-03-28 US disclosed
CN-102958917-A Compositions and methods for modulating the wnt signaling pathway IRM LLC 2013-03-06 CN disclosed
WO-2012003189-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY IRM LLC (BM) 2012-01-05 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 (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-20130079328-A1 COMPOSITIONS AND METHODS FOR MODULATING THE WNT SIGNALING PATHWAY WNT3A, WNT1, WNT3 GABRA1 4193/4885GABRG2 4078/4885GABRB3 2750/4885

“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.