SCHEMBL2529804

SCHEMBL2529804

Fc1ccc(C#Cc2ccnc(Cl)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.57
KCNH2 Q12809 2/20 0.57
FFAR1 O14842 2/20 0.54
ADRB3 P13945 1/20 0.39
TSPO P30536 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TRPA1 O75762 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL3500649 0.81 FFAR1 (0.56) GRM5KCNH2FFAR1TRPA1
SCHEMBL19121162 0.78 GRM5 (0.54) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL4734297 0.77 FFAR1 (0.50) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL19121065 0.77 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL23481153 0.77 GRM5 (0.53) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL19121124 0.75 GRM5 (0.57) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL9947880 0.75 FFAR1 (0.46) GRM5KCNH2FFAR1ADRB3TSPO
Basimglurant SCHEMBL560590 0.74 GRM5 (1.00) GRM5KCNH2FFAR1ADRB3TSPO
SCHEMBL2172336 0.74 GRM5 (0.78) GRM5KCNH2FFAR1ADRB3TSPO
Basimglurant SCHEMBL29377966 0.74 GRM5 (1.00) GRM5KCNH2FFAR1ADRB3TSPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556073-B1 BICYCLIC PYRIDINYL PYRAZOLES BAYER IP GMBH (DE) 2014-07-23 EP disclosed
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
CN-102947303-A Bicyclic pyrimidinyl pyrazoles BAYER CROPSCIENCE AG 2013-02-27 CN disclosed
EP-2556073-A1 BICYCLIC PYRIMIDINYL PYRAZOLES Bayer Intellectual Property GmbH (DE) 2013-02-13 EP disclosed
WO-2012084678-A1 NOVEL IMIDAZOLES USEFUL AS PLANT FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-06-28 WO disclosed
WO-2011124539-A1 BICYCLIC PYRIMIDINYL PYRAZOLES BAYER CROPSCIENCE AG (DE) 2011-10-13 WO disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 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 (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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR GRM5 2077/4885KCNH2 727/4885FFAR1 4690/4885

“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.