SCHEMBL5165592

SCHEMBL5165592

CC(=O)N(c1c(C)nc2cc(C)ccn12)C(C)(C)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
COMT P21964 1/20 0.36
RECQL P46063 1/20 0.36
CGAS Q8N884 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5164973 0.85 NPC1 (0.42) POLBKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL5165611 0.84 GAA (0.42) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL5168168 0.81 GAA (0.42) POLBKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL5170127 0.81 TP53 (0.46) KDM4EMAPTHTTGAAMEN1
SCHEMBL5167015 0.80 ALDH1A1 (0.38) POLBKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL5168360 0.80 RAB9A (0.36) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5165510 0.80 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5167375 0.80 KMT2A (0.44) KDM4EKMT2A
SCHEMBL5168364 0.78 NPC1 (0.36) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL5169053 0.76 GAA (0.33) POLBKDM4EALDH1A1SMN1; SMN2MAPT

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 4 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-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 POLB 710/4885KDM4E 3834/4885ALDH1A1 3066/4885

“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.