SCHEMBL2004127

SCHEMBL2004127

Cc1cnc(-c2nnc(S(C)(=O)=O)n2C)cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.32
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.31
HRH1 P35367 1/20 0.30
DRD2 P14416 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
SCHEMBL4172929 0.77 CA2 (0.36) KDM4EALDH1A1HSD17B10HSD11B1
SCHEMBL1850152 0.73 NPC1 (0.49) ALDH1A1RAB9A
SCHEMBL4877890 0.73 DRD3 (0.34) DRD3KCNH2HRH1DRD2
SCHEMBL2004992 0.71 HSD11B1 (0.36) ALDH1A1HPGDRAB9AHSD11B1
SCHEMBL1996596 0.70 ALDH1A1 (0.46) DRD3KCNH2KDM4EALDH1A1HPGD
SCHEMBL1999427 0.70 HSD11B1 (0.35) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL2002380 0.69 DYRK1A (0.41) HSD11B1
SCHEMBL27818911 0.69 DRD3 (0.33) DRD3KCNH2KDM4ERAB9AHRH1
SCHEMBL919281 0.68 HSD11B1 (0.49) ALDH1A1HSD11B1DRD2
SCHEMBL1544452 0.67 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101896480-A Tetrazole derivatives as modulators of metabotropic glutamate receptors (MGLURS) ASTRAZENECA AB 2010-11-24 CN claimed
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 EP claimed
US-20090131454-A1 New compounds 067 ASTRAZENECA AB (SE) 2009-05-21 US claimed
WO-2009051556-A1 TETRAZOLE DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) ASTRAZENECA AB (SE) 2009-04-23 WO 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
EP-2231647-A1 TETRAZOLE DERIVATES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS (MGLURS) AstraZeneca AB (SE) 2010-09-29 EP 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
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 DRD3 2449/4885KCNH2 4421/4885KDM4E 3734/4885

“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.