SCHEMBL2012435

SCHEMBL2012435

N#Cc1cc(COc2nc3c(s2)C(=O)NCC3)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.47
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
RIPK3 Q9Y572 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL2009348 0.82 GRM5 (0.54) GRM5CYP1A2TSHR
SCHEMBL2010940 0.80 GRM5 (0.62) GRM5CYP1A2TSHR
SCHEMBL2010249 0.77 GRM5 (0.49) GRM5CYP1A2TSHRRIPK3
SCHEMBL2013482 0.77 GRM5 (0.60) GRM5CYP1A2TSHR
SCHEMBL2013553 0.76 GRM5 (0.48) GRM5CYP1A2TSHR
SCHEMBL30796732 0.76 GRM5 (0.53) GRM5CYP1A2TSHR
SCHEMBL2014419 0.76 GRM5 (0.53) GRM5CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL2010260 0.75 GRM5 (0.50) GRM5CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL2015764 0.74 GRM5 (0.56) GRM5CYP1A2TSHR
Trifluoroacetic Acid SCHEMBL30795336 0.69 GRM5 (0.46) GRM5CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US claimed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP claimed
EP-2513117-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP claimed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US claimed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO claimed
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP disclosed
EP-2513117-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885CYP1A2 4222/4885TSHR 303/4885

“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.