Sugi Predict

Sugi Predict / Compounds / SCHEMBL4227155

SCHEMBL4227155

SCHEMBL4227155

Cc1cccc(-n2nnc(CN3CCCn4c(-c5cccnc5)nnc43)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNA5 P30532 2/20 0.38
▸ CHRNA4 P43681 2/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ GSK3B P49841 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL4233819 0.90 P2RX7 (0.40) LMNAHTTCHRNB2CHRNA5CHRNA4
SCHEMBL2897284 0.88 P2RX7 (0.40) ALDH1A1HTTCHRNB2CHRNA5CHRNA4
SCHEMBL2893245 0.88 ALDH1A1 (0.36) ALDH1A1GRM5L3MBTL1HPGD
SCHEMBL2893430 0.79 GRM5 (0.34) ALDH1A1GRM5GSK3B
SCHEMBL2892997 0.77 GRM5 (0.34) ALDH1A1GRM5GSK3B
SCHEMBL2892995 0.77 FLT3 (0.39) ALDH1A1GRM5NPC1GSK3BHPGD
SCHEMBL2889558 0.77 PSEN1 (0.38) ALDH1A1GRM5TSHR
SCHEMBL2890137 0.77 CHRNB2 (0.44) ALDH1A1HTTCHRNB2CHRNA5CHRNA4
SCHEMBL2896306 0.75 PSEN1 (0.43) ALDH1A1CHRNB2CHRNA5CHRNA4GRM5
SCHEMBL2889873 0.75 CHRNB2 (0.44) ALDH1A1HTTCHRNB2CHRNA5CHRNA4

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
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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 — — EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 — — 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 ALDH1A1 4603/4885LMNA 4566/4885HTT 622/4885

“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.