SCHEMBL5545595

SCHEMBL5545595

Cc1ccc(C2COCCN2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
CTSK P43235 1/20 0.38
GFER P55789 1/20 0.37
ACVR1 Q04771 1/20 0.37
PRCP P42785 1/20 0.37
GID4 Q8IVV7 1/20 0.36
ATR Q13535 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
METTL3 Q86U44 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM1A O60341 1/20 0.34
CHRNA7 P36544 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL14839831 0.85 KDM1A (0.47) MAPTPRKACAPRKACGPRKACBCTSK
SCHEMBL14839620 0.81 PRKACA (0.41) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL2944138 0.81 CHRNA7 (0.47) PRKACAPRKACGPRKACBCTSKPRCP
SCHEMBL18387 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL280628 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL8321907 0.81 CSNK1D (0.43) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL3399522 0.81 PRKACA (0.47) PRKACAPRKACGPRKACBCTSKACVR1
SCHEMBL22589151 0.81 CHRNA7 (0.47) PRKACAPRKACGPRKACBCTSKPRCP
SCHEMBL21717791 0.81 MAPT (0.44) MAPTPRKACAPRKACGPRKACBCTSK
SCHEMBL27758952 0.81 PRKACA (0.41) MAPTPRKACAPRKACGPRKACBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751088-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2016-04-13 EP disclosed
US-8765751-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-01 US disclosed
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
WO-2013049719-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 WO disclosed
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 (2 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 MAPT 4117/4885PRKACA 4566/4885PRKACG 4617/4885
US-20130089624-A1 Compounds Useful as Inhibitors of ATR Kinase ATR, CHEK1, PLK1 MAPT 1300/4885PRKACA 159/4885PRKACG 225/4885

“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.