SCHEMBL5168742

SCHEMBL5168742

CC(=O)N(c1c(-c2ccc(Cl)cc2Cl)nc2ncccn12)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 16/20 0.46
KCNK9 Q9NPC2 16/20 0.46
CNR1 P21554 2/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
TDP2 O95551 1/20 0.40
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
XBP1 P17861 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
PAX8 Q06710 1/20 0.40

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
SCHEMBL5165926 0.77 CNR1 (0.40) KCNK3KCNK9CNR1KDM4EMAPT
SCHEMBL6644077 0.77 GAA (0.41) KCNK3KCNK9KDM4ELMNAMAPT
SCHEMBL5168197 0.77 CNR1 (0.44) CNR1KDM4ELMNAAPAF1NPC1
SCHEMBL5170120 0.74 KCNK3 (0.40) KCNK3KCNK9KDM4ENPC1MAPT
SCHEMBL5165831 0.70 KDM4E (0.47) KCNK3KCNK9CNR1KDM4ELMNA
SCHEMBL1691992 0.69 DPP4 (0.50) KCNK3KCNK9KDM4EMAPTRAB9A
SCHEMBL11355420 0.69 MAPT (0.51) KDM4ELMNAMAPTRAB9ANPSR1
SCHEMBL6671073 0.69 ALDH1A1 (0.37) KCNK3KCNK9KDM4ELMNAAPAF1
SCHEMBL14881875 0.67 GPBAR1 (0.76) KCNK3KCNK9CNR1KDM4EMAPT
SCHEMBL7010442 0.67 MAPT (0.38) KDM4ELMNAAPAF1NPC1TDP2

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 KCNK3 1439/4885KCNK9 2089/4885CNR1 231/4885

“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.