SCHEMBL5168524

SCHEMBL5168524

CC(=O)N(c1c(C)cccc1C)c1c(-c2ccc(C(=O)O)s2)nc2ccc(C)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRB1 P18505 2/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL5168530 0.86 KDM4E (0.36) HPGDGAATP53KDM4ERAB9A
SCHEMBL5166995 0.77 RBP4 (0.38) HPGDGAATP53KDM4ERAB9A
SCHEMBL6752288 0.74 KDM4E (0.36) HPGDGAATP53KDM4ERAB9A
SCHEMBL6649467 0.71 BRD4 (0.47) HPGDGAATP53KDM4EALDH1A1
SCHEMBL6750698 0.67 RPS6KB2 (0.42) HPGDGAATP53RPS6KB2KDM4E
SCHEMBL5166481 0.64 RPS6KB2 (0.38) HPGDGAATP53RPS6KB2KDM4E
SCHEMBL6752274 0.62 MKNK1 (0.39) HPGDGAATP53RPS6KB2KDM4E
SCHEMBL5166544 0.62 CGAS (0.40) GAATP53KDM4ERAB9ANPC1
SCHEMBL11010900 0.62 GABRA1 (0.52) HPGDGAAKDM4ERAB9ANPC1
SCHEMBL24573253 0.62 HPGD (0.67) HPGDGAAKDM4ERAB9ANPC1

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 HPGD 38/4885GAA 536/4885TP53 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.