SCHEMBL6649705

SCHEMBL6649705

Cc1cccn2c(NC(C)(C)C)c(-c3ccccc3)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.64
GAA P10253 9/20 0.59
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
ATM Q13315 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 6/20 0.56
IDO1 P14902 2/20 0.56
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TOP2A P11388 2/20 0.51
BRD4 O60885 2/20 0.51
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL28599553 0.88 MAPT (0.56) ADRA1BGAAKDM4ENPC1ALDH1A1
SCHEMBL5167064 0.86 IDO1 (0.58) ADRA1BGAAKDM4ENPC1ALDH1A1
SCHEMBL19568998 0.82 GAA (0.81) GAAKDM4ENPC1ALDH1A1GLA
SCHEMBL6652519 0.82 GAA (0.72) ADRA1BGAAKDM4ENPC1ALDH1A1
SCHEMBL17833795 0.81 BRD4 (0.78) GAAMAPTBRD4
SCHEMBL28601037 0.79 GAA (0.70) ADRA1BGAAKDM4EALDH1A1HPGD
SCHEMBL19826837 0.78 GAA (0.90) GAAKDM4ENPC1ALDH1A1GLA
SCHEMBL25414843 0.78 ADRA1B (1.00) ADRA1BKDM4ENPC1ALDH1A1HPGD
SCHEMBL18293600 0.78 GAA (0.64) ADRA1BGAAKDM4ENPC1ALDH1A1
SCHEMBL13325912 0.77 GAA (0.71) GAAKDM4ENPC1ALDH1A1GLA

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
CN-109053558-B Synthesis method of N-heterocyclic amide derivative 贵州大学 2022-02-18 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

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 ADRA1B 486/4885GAA 536/4885KDM4E 3834/4885

“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.