SCHEMBL2520705

SCHEMBL2520705

Brc1ccc(C#Cc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.52
APP P05067 1/20 0.50
FFAR1 O14842 1/20 0.47
MAPT P10636 1/20 0.45
ADORA2A P29274 1/20 0.42

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
SCHEMBL2520701 0.78 GRM5 (0.62) GRM5APPFFAR1MAPTADORA2A
SCHEMBL2520962 0.76 GRM5 (0.46) GRM5APPFFAR1
SCHEMBL1644125 0.75 GRM5 (0.57) GRM5APPFFAR1MAPTADORA2A
SCHEMBL16466525 0.75 GRM5 (0.52) GRM5APPFFAR1MAPTADORA2A
SCHEMBL1907982 0.75 GRM5 (0.52) GRM5APPFFAR1MAPT
SCHEMBL30772300 0.75 CYP1A2 (0.55) GRM5APPFFAR1MAPT
SCHEMBL10847901 0.75 FFAR1 (0.57) GRM5APPFFAR1MAPTADORA2A
SCHEMBL1642511 0.75 PIK3CA (0.56) GRM5APPFFAR1MAPT
SCHEMBL4319348 0.75 CYP1A2 (0.55) GRM5APPFFAR1MAPT
SCHEMBL6821195 0.75 GRM5 (0.56) GRM5APPFFAR1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702050-B1 PYRAZOLIDIN-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2702050-B1 PYRAZOLIDIN-3-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
US-9315498-B2 Arlethynyl derivatives HOFFMAN-LA ROCHE INC. (US) 2016-04-19 US disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
EP-2558457-B1 ARYLETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-03-09 EP disclosed
US-20140155602-A1 Arlethynyl Derivatives HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2702050-A1 PYRAZOLIDIN-3-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-03-05 EP disclosed
US-8648088-B2 Ethynyl nitrogen containing heteroaryl pyrazolidin-3-one derivatives HOFFMANN-LA ROCHE INC. (US) 2014-02-11 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420661-B2 Arylethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2558457-A1 ARYLETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2012146552-A1 PYRAZOLIDIN-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-11-01 WO disclosed
US-20120277243-A1 PYRAZOLIDIN-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-11-01 US disclosed
US-20120277243-A1 PYRAZOLIDIN-3-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-11-01 US disclosed
WO-2011128279-A1 ARYLETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 US disclosed
US-20110251169-A1 Arylethynyl derivatives HOFFMANN-LA ROCHE, INC. 2011-10-13 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 (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-20120277243-A1 PYRAZOLIDIN-3-ONE DERIVATIVES GRM5, GRM1, GRIK5 GRM5 1/4885APP 3720/4885FFAR1 120/4885
US-20140155602-A1 Arlethynyl Derivatives GRM5, GRIK5, GRM1 GRM5 1/4885APP 3493/4885FFAR1 81/4885
US-20110251169-A1 Arylethynyl derivatives GRM5, GRM1, GRM3 GRM5 1/4885APP 4040/4885FFAR1 73/4885

“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.