SCHEMBL5166860

SCHEMBL5166860

CCCCNc1c(C2CCCCC2)nc2cc(C)ccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 7/20 0.51
GFER P55789 3/20 0.48
ALOX5 P09917 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NPC1 O15118 1/20 0.41
BACE1 P56817 1/20 0.41
TLR9 Q9NR96 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL13464314 0.82 ALDH1A1 (0.76) ALDH1A1LMNATSHRATMGFER
SCHEMBL1967218 0.82 ALDH1A1 (0.76) ALDH1A1LMNATSHRATMGFER
SCHEMBL5167594 0.81 ATM (0.37) ALDH1A1LMNATSHRATMMAPT
SCHEMBL27492081 0.80 ALDH1A1 (0.51) ALDH1A1LMNATSHRATMTP53
SCHEMBL1966796 0.78 ATM (0.49) ALDH1A1TSHRATMGAAMAPT
SCHEMBL6648048 0.78 ALDH1A1 (0.56) ALDH1A1LMNATSHRATMGFER
SCHEMBL5166866 0.76 PKM (0.64) ALDH1A1LMNAATMTP53GAA
SCHEMBL1967026 0.75 ATM (0.46) ALDH1A1TSHRATMMAPTKDM4E
SCHEMBL6276745 0.73 ATM (0.38) ALDH1A1TSHRATMKDM4EMAPK1
SCHEMBL5168083 0.72 ATM (0.62) ALDH1A1ATMTP53GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1208336-C Tert-butyl-(7-methyl-imidazo [1,2-A] pyridine-3-yl)-amine derivatives GRUENENTHAL GMBH (DE) 2005-06-29 CN claimed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
CN-1407983-A Tert-butyl-(7-methyl-imidazo [1,2-A] pyridine-3-yl)-amine derivatives GRUENENTHAL GMBH (DE) 2003-04-02 CN claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1326613-B2 USE OF SUBSTITUTED IMIDAZO 1,2-A|PYRIDINE-, IMIDAZO ¬1,2-A|PYRIMIDINE AND IMIDAZO ¬1,2-A|PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2007-04-18 EP disclosed
CN-1208336-C Tert-butyl-(7-methyl-imidazo [1,2-A] pyridine-3-yl)-amine derivatives GRUENENTHAL GMBH (DE) 2005-06-29 CN disclosed
EP-1326613-B1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO [1,2-A]PYRIMIDINE AND IMIDAZO [1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS GRUENENTHAL GMBH (DE) 2004-06-02 EP disclosed
US-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS GRUENENTHAL GMBH (DE) 2004-02-05 US disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
CN-1407983-A Tert-butyl-(7-methyl-imidazo [1,2-A] pyridine-3-yl)-amine derivatives GRUENENTHAL GMBH (DE) 2003-04-02 CN disclosed
EP-1218378-A2 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES Grünenthal GmbH (DE) 2002-07-03 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed
WO-2001027109-A2 TERT.-BUTYL-(7-METHYL-IMIDAZO[1,2-A]PYRIDINE-3-YL)-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 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-20040023972-A1 Use of substituted imidazo[1,2-a]-pyridin-, -pyrimidin-and-pyrazin-3-yl-amine derivatives in the preparation of medicaments for inhibiting NOS NOS1, PTGIS, NOS2 ALDH1A1 3066/4885LMNA 802/4885TSHR 3649/4885

“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.