SCHEMBL5123249

SCHEMBL5123249

CCc1ccn2c(NC3CCCC3)c(-c3ccc(C#Cc4ccccn4)cc3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
GAA P10253 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GFER P55789 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
ALOX5 P09917 3/20 0.51
MAPT P10636 4/20 0.49
ADORA1 P30542 1/20 0.48
BACE1 P56817 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TRIM33 Q9UPN9 1/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL5117102 0.91 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5118558 0.88 ALOX5 (0.48) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5119093 0.83 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5128822 0.83 GAA (0.64) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL2990796 0.79 ALOX5 (0.62) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5120656 0.78 ALOX5 (0.60) ALDH1A1GAAGFERHTTALOX5
SCHEMBL5122721 0.78 ALOX5 (0.65) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5128462 0.78 ALDH1A1 (0.60) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5115253 0.76 GFER (0.46) ALDH1A1GAASMN1; SMN2GFERLMNA
SCHEMBL5117108 0.76 GAA (0.47) ALDH1A1GAASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS ALDH1A1 2777/4885GAA 234/4885SMN1; SMN2 1463/4885

“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.