SCHEMBL4089323

SCHEMBL4089323

Cc1cccc(-c2cc([C@H](C)N(C)c3nnc(-c4cnn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.49
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4089356 0.87 GRM5 (0.56) GRM5KMT2ALMNAMAPTALDH1A1
SCHEMBL2920291 0.85 GRM5 (0.68) GRM5KMT2ALMNAMAPT
SCHEMBL2921700 0.83 GRM5 (0.57) GRM5KMT2ALMNAMAPTALDH1A1
SCHEMBL2917638 0.79 GRM5 (0.68) GRM5ALDH1A1
SCHEMBL2897955 0.70 HCRTR1 (0.40) GRM5
SCHEMBL2963963 0.67 GRM5 (0.63) GRM5KMT2AMAPT
SCHEMBL13201363 0.67 GRM5 (0.63) GRM5KMT2AMAPT
SCHEMBL3109955 0.67 GRM5 (0.57) GRM5KMT2ALMNAMAPTALDH1A1
SCHEMBL3109950 0.67 GRM5 (0.57) GRM5KMT2ALMNAMAPTALDH1A1
SCHEMBL8216972 0.67 GRM5 (0.62) GRM5KMT2A

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-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
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 GRM5 1/4885KMT2A 1682/4885LMNA 4735/4885

“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.