SCHEMBL6893699

SCHEMBL6893699

Nc1nc2c(s1)C(=O)N(c1ccc(F)cc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.63
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
RAB9A P51151 1/20 0.38
GRM3 Q14832 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
SCHEMBL12938278 0.86 GRM5 (0.63) GRM5ALDH1A1PDE4APDE4BPDE4C
SCHEMBL31318725 0.86 GRM5 (0.48) GRM5ALDH1A1MAPK1
SCHEMBL6892323 0.82 GRM5 (0.71) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL6892422 0.82 GRM5 (0.71) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL2015707 0.78 GRM5 (1.00) GRM5GRM3
SCHEMBL31573909 0.77 GRM5 (0.63) GRM5ALDH1A1MAPK1PDE4APDE4B
SCHEMBL2012403 0.75 GRM5 (1.00) GRM5
SCHEMBL2014000 0.75 GRM5 (1.00) GRM5GRM3
SCHEMBL6894394 0.75 GRM5 (0.57) GRM5PDE4APDE4BPDE4CPDE4D
SCHEMBL2011834 0.75 GRM5 (1.00) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174953-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-11-03 US disclosed
US-9174953-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-11-03 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-04 US disclosed
US-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-04 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 (2 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-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885ALDH1A1 4174/4885MAPK1 1976/4885
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885ALDH1A1 4174/4885MAPK1 1976/4885

“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.