SCHEMBL1996596

SCHEMBL1996596

CSc1nnc(-c2cnc(C)cn2)n1C

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 3/20 0.42
DRD3 P35462 4/20 0.42
KCNH2 Q12809 3/20 0.42
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HRH1 P35367 2/20 0.40
HPGD P15428 2/20 0.40
DRD2 P14416 1/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL17713051 0.77 DRD3 (0.51) KDM4EKMT2ADRD3KCNH2HSD17B10
SCHEMBL4174964 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AHSD17B10GLA
SCHEMBL4877890 0.75 DRD3 (0.34) DRD3KCNH2HRH1DRD2MAPT
SCHEMBL2004127 0.70 DRD3 (0.32) ALDH1A1KDM4EDRD3KCNH2HSD17B10
SCHEMBL2004713 0.69 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2AHSD17B10GLA
SCHEMBL27818911 0.68 DRD3 (0.33) KDM4EDRD3KCNH2HRH1DRD2
SCHEMBL10021907 0.67 CCR1 (0.41) ALDH1A1KDM4EHSD17B10GAAHPGD
SCHEMBL1999987 0.67 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2AHSD17B10GLA
SCHEMBL974759 0.66 ALDH1A1 (0.69) ALDH1A1KDM4EKMT2ADRD3HSD17B10
SCHEMBL1877242 0.65 TLR8 (0.33) DRD3KCNH2HRH1DRD2

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 12 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
CN-101896480-A Tetrazole derivatives as modulators of metabotropic glutamate receptors (MGLURS) ASTRAZENECA AB 2010-11-24 CN 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 ALDH1A1 1808/4885KDM4E 3734/4885KMT2A 4681/4885

“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.