SCHEMBL5164965

SCHEMBL5164965

C#[N+]CCCCCCNc1c(-c2cccnc2)nc2cc(C)ccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.56
KDM4E B2RXH2 4/20 0.56
TP53 P04637 3/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
NR1H4 Q96RI1 2/20 0.47
PKM P14618 1/20 0.46
PKLR P30613 1/20 0.46
PLAU P00749 4/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GFER P55789 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL4476367 0.88 GAA (0.60) GAAKDM4ETP53MEN1HTT
Hydrochloric Acid SCHEMBL4481175 0.87 GAA (0.59) GAAKDM4ETP53MEN1HTT
SCHEMBL27506302 0.86 GAA (0.62) GAAKDM4ETP53MEN1HTT
SCHEMBL5165916 0.86 ALOX5 (0.54) GAAKDM4ETP53NR1H4PKM
SCHEMBL5166448 0.85 GAA (0.52) GAAKDM4ETP53MEN1HTT
SCHEMBL5165002 0.82 GAA (0.59) GAAKDM4ETP53MEN1HTT
SCHEMBL5167549 0.81 NR1H4 (0.50) GAAKDM4ETP53MEN1HTT
SCHEMBL5166497 0.80 NR1H4 (0.48) GAAKDM4EMEN1HTTKMT2A
SCHEMBL5167453 0.80 NR1H4 (0.48) GAAKDM4ETP53HTTKMT2A
SCHEMBL5164936 0.79 NR1H4 (0.48) GAAKDM4ETP53HTTKMT2A

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
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
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
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
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

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 GAA 536/4885KDM4E 3834/4885TP53 3796/4885

“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.