SCHEMBL3974922

SCHEMBL3974922

Cn1c(-c2cn[nH]c(=O)c2)nnc1N1CCC[C@@H]1c1cc(-c2csc(Cl)c2)on1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
MDM2 Q00987 4/20 0.34
PIK3C3 Q8NEB9 2/20 0.33
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CYP11B2 P19099 1/20 0.30

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
SCHEMBL4084474 0.87 GRM5 (0.41) GRM5MDM2PIK3C3KCNH2
SCHEMBL2896795 0.86 GRM5 (0.56) GRM5
SCHEMBL2896791 0.86 GRM5 (0.56) GRM5
SCHEMBL4090072 0.86 MDM2 (0.33) MDM2HTR3A
SCHEMBL2893687 0.85 GRM5 (0.55) GRM5HTR3AKCNH2HRH3
SCHEMBL2893690 0.85 GRM5 (0.55) GRM5HTR3AKCNH2HRH3
SCHEMBL2898074 0.83 GRM5 (0.42) GRM5PIK3C3HTR3AKCNH2HRH3
SCHEMBL2898065 0.83 GRM5 (0.42) GRM5PIK3C3HTR3AKCNH2HRH3
SCHEMBL2898874 0.83 GRM5 (0.46) GRM5HTR3AKCNH2HRH3
SCHEMBL4234869 0.83 GRM5 (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054793-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111825-A1 THIOPHENE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885MDM2 4831/4885PIK3C3 4510/4885

“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.