SCHEMBL5541734

SCHEMBL5541734

Cn1cc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.57
CSNK1E P49674 2/20 0.57
MAPK14 Q16539 2/20 0.57
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
BRAF P15056 10/20 0.51
MAPK3 P27361 2/20 0.48
MAPK1 P28482 2/20 0.48
PTGIR P43119 1/20 0.47
JMJD6 Q6NYC1 1/20 0.46
KMT2A Q03164 1/20 0.45
PDE10A Q9Y233 3/20 0.45
TGFBR1 P36897 1/20 0.44
LGALS3 P17931 1/20 0.44
PDE4D Q08499 1/20 0.44
DRD4 P21917 1/20 0.43

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
SCHEMBL5258671 0.91 MAPK13 (0.71) CSNK1DCSNK1EMAPK14MAPK13MAPK12
Formamide SCHEMBL29227810 0.89 MAPK13 (0.53) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL13772717 0.89 BRAF (0.56) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL11848776 0.85 MAPK14 (0.44) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL11720032 0.85 MAPK13 (0.44) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL7779486 0.84 PTGS2 (0.58)
SCHEMBL14236334 0.83 ALDH1A1 (0.53) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL7780904 0.83 PTGS2 (0.55) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL25731615 0.82 KMT2A (0.44) CSNK1DCSNK1EMAPK14MAPK13MAPK12
SCHEMBL13772733 0.81 PDE10A (0.58) PDE10ALGALS3PDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CSNK1D 1885/4885CSNK1E 2792/4885MAPK14 2803/4885

“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.