SCHEMBL2916384

SCHEMBL2916384

CCNc1nnc(-c2ccn(C)c(=O)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
GRM5 P41594 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
DRD2 P14416 4/20 0.36
DRD3 P35462 4/20 0.36
KCNH2 Q12809 3/20 0.36
HSD11B1 P28845 1/20 0.35
AOC3 Q16853 1/20 0.35
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH2 P05091 1/20 0.34
POLQ O75417 1/20 0.33

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
SCHEMBL2922980 0.84 HDAC6 (0.42) HDAC6GRM5PIK3C3PIK3CDPIK3CA
SCHEMBL2963087 0.75 HDAC6 (0.43) HDAC6GRM5PIK3C3PIK3CDPIK3CA
SCHEMBL2966770 0.72 ALDH1A1 (0.53) HDAC6GRM5DRD2DRD3KCNH2
SCHEMBL2956537 0.71 GRM5 (0.41) HDAC6GRM5PIK3C3PIK3CDPIK3CA
SCHEMBL2904276 0.71 GRM5 (0.39) GRM5KCNH2
SCHEMBL23465973 0.71 NPC1 (0.62) HDAC6DRD2DRD3KCNH2CHRM1
SCHEMBL17712940 0.68 DRD2 (0.53) HDAC6DRD2DRD3KCNH2CHRM1
SCHEMBL18471234 0.65 PIK3C3 (0.44) HDAC6PIK3C3PIK3CDPIK3CAPIK3CB
SCHEMBL18656033 0.64 PIK3CD (0.43) HDAC6GRM5PIK3C3PIK3CDPIK3CA
SCHEMBL23346568 0.63 PIK3C3 (0.46) HDAC6PIK3C3PIK3CDPIK3CAPIK3CB

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-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US 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
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 HDAC6 490/4885GRM5 1/4885PIK3C3 4637/4885

“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.