SCHEMBL5166427

SCHEMBL5166427

C#[N+]CCCCCCN(C(C)=O)c1c(-c2ccccn2)nc2cc(C)cc(C)n12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.33
GAA P10253 7/20 0.33
HTT P42858 5/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 3/20 0.33
ADORA2A P29274 1/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 6/20 0.32
KMT2A Q03164 5/20 0.32
TDP1 Q9NUW8 4/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MITF O75030 1/20 0.32
PPP1CA P62136 1/20 0.32
POLB P06746 3/20 0.32
KDM4E B2RXH2 4/20 0.32
TP53 P04637 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 1/20 0.32
HCRTR1 O43613 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
SCHEMBL5181265 0.83 TP53 (0.33) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL5165642 0.83 GAA (0.33) SMN1; SMN2GAAALDH1A1MAPTKMT2A
SCHEMBL5166989 0.83 TSHR (0.32) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL5168739 0.72 ALDH1A1 (0.43) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL5165987 0.70 ALOX5 (0.40) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL5167698 0.70 TP53 (0.44) GAAHTTKMT2AKDM4ETP53
SCHEMBL5167195 0.70 MAPT (0.39) SMN1; SMN2GAAHTTALDH1A1MAPT
SCHEMBL5165002 0.67 GAA (0.59) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL5166499 0.63 NR1H4 (0.39) SMN1; SMN2GAAALDH1A1LMNAMAPT
SCHEMBL5168273 0.62 GAA (0.57) SMN1; SMN2GAAHTTALDH1A1LMNA

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 6 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

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 SMN1; SMN2 59/4885GAA 536/4885HTT 37/4885

“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.