SCHEMBL2910155

SCHEMBL2910155

CCn1c(-c2cc(=O)[nH]cn2)nnc1N(C)Cc1cc(-c2cccc(C)c2)on1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.37
GRM5 P41594 2/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
MAOB P27338 2/20 0.33
XDH P47989 1/20 0.32
MAP4K1 Q92918 4/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
GRIN2B Q13224 1/20 0.30
IL4I1 Q96RQ9 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
SCHEMBL2914059 0.92 GRM5 (0.40) GRM5RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL2920741 0.79 GRM5 (0.38) GRM5LMNARAB9AKMT2AALDH1A1
SCHEMBL2921956 0.72 GRM5 (0.47) MAPK14GRM5HSD17B13LMNAMAPT
SCHEMBL2919979 0.68 GRM5 (0.47) MAPK14GRM5HSD17B13LMNAALDH1A1
SCHEMBL2890722 0.67 HCRTR1 (0.38) GRM5
SCHEMBL2890728 0.67 HCRTR1 (0.38) GRM5
SCHEMBL2916685 0.67 GRM5 (0.57) MAPK14GRM5HSD17B13LMNAMAPT
SCHEMBL2913730 0.65 GRM5 (0.57) GRM5RAB9AALDH1A1MAPK1
SCHEMBL17922502 0.65 NOTUM (0.47) RAB9AL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL1544945 0.64 KCNH2 (0.45) GRM5LMNARAB9AKMT2AALDH1A1

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 6 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

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 MAPK14 1289/4885GRM5 1/4885HSD17B13 3928/4885

“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.