SCHEMBL2921700

SCHEMBL2921700

Cc1cccc(-c2cc([C@H](C)N(C)c3nnc(-c4cc[nH]c(=O)c4)n3C)no2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.57
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
XDH P47989 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
MAOB P27338 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL2920291 0.87 GRM5 (0.68) GRM5KMT2ANPSR1MAPTLMNA
SCHEMBL4089356 0.84 GRM5 (0.56) GRM5KMT2AMAPTLMNAMAPK14
SCHEMBL4089323 0.83 GRM5 (0.49) GRM5KMT2AMAPTLMNAALDH1A1
SCHEMBL3116142 0.80 GRM5 (0.58) GRM5KMT2ANPSR1MAPTLMNA
SCHEMBL13101139 0.80 GRM5 (0.58) GRM5KMT2ANPSR1MAPTLMNA
SCHEMBL2921956 0.78 GRM5 (0.47) GRM5NPSR1MAPTLMNADRD2
SCHEMBL2917638 0.76 GRM5 (0.68) GRM5MAOBALDH1A1
SCHEMBL2967216 0.73 GRM5 (1.00) GRM5MAOBALDH1A1
SCHEMBL2966335 0.73 GRM5 (1.00) GRM5MAOBALDH1A1
SCHEMBL2913730 0.71 GRM5 (0.57) GRM5ALDH1A1

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 GRM5 1/4885KMT2A 1682/4885NPSR1 369/4885

“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.