SCHEMBL2916685

SCHEMBL2916685

CCN(Cc1cc(-c2cccc(C)c2)on1)c1nnc(-c2cn[nH]c(=O)c2)n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.57
AURKA O14965 4/20 0.35
DAPK3 O43293 4/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CDK5 Q00535 4/20 0.35
ROCK1 Q13464 4/20 0.35
DYRK1A Q13627 4/20 0.35
JAK2 O60674 3/20 0.35
AURKB Q96GD4 3/20 0.35
ROCK2 O75116 3/20 0.35
CDK2 P24941 3/20 0.35
MARK3 P27448 3/20 0.35
PIM1 P11309 2/20 0.35
CHEK2 O96017 2/20 0.35
LIMK1 P53667 2/20 0.35
PRKD2 Q9BZL6 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PRKACA P17612 3/20 0.32

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
SCHEMBL2924692 0.92 GRM5 (0.58) GRM5AURKADAPK3GSK3AGSK3B
SCHEMBL2921956 0.88 GRM5 (0.47) GRM5HSD17B13NPSR1MAPK14MAPT
SCHEMBL2919979 0.84 GRM5 (0.47) GRM5HSD17B13MAPK14GRIN2BALDH1A1
SCHEMBL2920464 0.84 GRM5 (0.48) GRM5NPSR1MAPTALDH1A1
SCHEMBL2913730 0.80 GRM5 (0.57) GRM5MAPK1ALDH1A1
SCHEMBL2920291 0.79 GRM5 (0.68) GRM5NPSR1MAPK14MAPTLMNA
SCHEMBL4090451 0.78 GRM5 (0.57) GRM5GRIN1GRIN2BMAPTALDH1A1
SCHEMBL2921592 0.77 GRM5 (0.58) GRM5HSD17B13MAPK1MAPTALDH1A1
SCHEMBL4100056 0.76 GRM5 (0.58) GRM5MAPTALDH1A1
SCHEMBL3121588 0.73 GRM5 (0.69) GRM5NPSR1MAPTALDH1A1LMNA

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
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885AURKA 2917/4885DAPK3 613/4885

“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.