SCHEMBL4089356

SCHEMBL4089356

Cc1cccc(-c2cc([C@H](C)N(C)c3nnc(-c4ccn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.56
SCD O00767 1/20 0.35
HDAC6 Q9UBN7 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD11B1 P28845 1/20 0.30
TDP2 O95551 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
SCHEMBL2917638 0.92 GRM5 (0.68) GRM5ALDH1A1
SCHEMBL4089323 0.87 GRM5 (0.49) GRM5LMNAKMT2AMAPTALDH1A1
SCHEMBL2921700 0.84 GRM5 (0.57) GRM5LMNAKMT2AMAPK14MAPT
SCHEMBL2920291 0.83 GRM5 (0.68) GRM5LMNAKMT2AMAPK14MAPT
SCHEMBL3109955 0.80 GRM5 (0.57) GRM5SCDHDAC6LMNAKMT2A
SCHEMBL3109950 0.80 GRM5 (0.57) GRM5SCDHDAC6LMNAKMT2A
SCHEMBL2919979 0.79 GRM5 (0.47) GRM5SCDHDAC6LMNAHSD17B13
SCHEMBL2959556 0.72 GRM5 (1.00) GRM5ALDH1A1
SCHEMBL2967887 0.72 GRM5 (1.00) GRM5ALDH1A1
SCHEMBL3730699 0.72 GRM5 (0.48) GRM5LMNAHSD17B13KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US 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 1/4885SCD 3235/4885HDAC6 490/4885

“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.