SCHEMBL4234196

SCHEMBL4234196

c1ncc(-c2nnc3n2CCCN3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
GFER P55789 1/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ROCK1 Q13464 3/20 0.33
CDC42BPB Q9Y5S2 3/20 0.33
HPGD P15428 5/20 0.33
P2RX7 Q99572 1/20 0.32
ROCK2 O75116 2/20 0.31
CDC42BPA Q5VT25 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
SCHEMBL2895003 0.83 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8231072 0.80 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5478085 0.78 ROCK2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4055978 0.77 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895908 0.77 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895845 0.75 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2895214 0.72 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5488505 0.71 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1544433 0.69 ALDH1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5488142 0.68 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 PSEN1 923/4885PSEN2 606/4885APH1B 2718/4885

“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.