SCHEMBL2005352

SCHEMBL2005352

Cc1cccc(-n2nnc([C@@H](C)Oc3nnc(-c4cncnc4)n3C)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.71
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.32
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
APLNR P35414 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL30795977 1.00 GRM5 (0.71) GRM5KCNH2ALDH1A1L3MBTL1LMNA
SCHEMBL2491421 0.90 GRM5 (0.69) GRM5KCNH2ALDH1A1L3MBTL1LMNA
SCHEMBL12612195 0.90 GRM5 (0.69) GRM5KCNH2ALDH1A1L3MBTL1LMNA
SCHEMBL2891488 0.89 GRM5 (0.69) GRM5KCNH2ALDH1A1L3MBTL1
SCHEMBL1997502 0.85 GRM5 (0.67) GRM5KCNH2APLNRRXRAGRIN1
SCHEMBL30795719 0.85 GRM5 (0.67) GRM5KCNH2APLNRRXRAGRIN1
SCHEMBL30795975 0.84 GRM5 (0.65) GRM5KCNH2L3MBTL1RXRAGRIN1
SCHEMBL1997217 0.84 GRM5 (0.65) GRM5KCNH2L3MBTL1RXRAGRIN1
SCHEMBL2958268 0.83 GRM5 (1.00) GRM5KCNH2
SCHEMBL30794700 0.82 GRM5 (0.64) GRM5KCNH2RXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US claimed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-7960422-B2 Pharmaceutically active compounds containing tetrazolyl and triazolyl rings ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US disclosed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 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-20090131454-A1 New compounds 067 UGT2B7, UGT1A7, CYP3A7 GRM5 1146/4885KCNH2 4421/4885ALDH1A1 1808/4885

“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.