SCHEMBL1675598

SCHEMBL1675598

COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PTK2 Q05397 11/20 0.47
IGF1R P08069 1/20 0.46
DYRK1A Q13627 1/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PLK1 P53350 1/20 0.44
USP7 Q93009 2/20 0.43
USP47 Q96K76 2/20 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
SCHEMBL1781170 0.88 USP7 (0.47) MAPTDYRK1ALMNAALDH1A1USP7
SCHEMBL3232076 0.86 ALDH1A1 (0.45) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL14748357 0.83 KMT2A (0.52) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL1163804 0.82 KDM4E (0.51) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL3487851 0.80 PTK2 (0.48) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL3487848 0.80 PTK2 (0.48) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL22182518 0.80 PTK2 (0.52) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL22280229 0.80 IGF1R (0.53) KDM4EMEN1MAPTKMT2APTK2
SCHEMBL3544241 0.80 ALDH1A1 (0.61) MEN1MAPTKMT2ALMNAALDH1A1
SCHEMBL736393 0.80 SIRT6 (0.52) KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP disclosed
EP-2205241-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP disclosed
US-8318727-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8026234-B2 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-27 US disclosed
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-18 US disclosed
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 US disclosed
EP-2205241-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-07-14 EP disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20090281092-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-12 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2009042711-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (4 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-20090281092-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK KDM4E 2195/4885MEN1 3731/4885MAPT 1318/4885
US-20110201818-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK KDM4E 2195/4885MEN1 3731/4885MAPT 1318/4885
US-20110082111-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK KDM4E 2195/4885MEN1 3731/4885MAPT 1318/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 KDM4E 3977/4885MEN1 1408/4885MAPT 2200/4885

“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.