SCHEMBL13723909

SCHEMBL13723909

COc1cc(N)ccc1OCC(C)(C)CO

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 3/20 0.57
NUDT1 P36639 4/20 0.50
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.41
CYP19A1 P11511 2/20 0.41
NR4A1 P22736 1/20 0.41
CYP2D6 P10635 1/20 0.40
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PRSS1 P07477 2/20 0.38

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
SCHEMBL14320713 0.86 GAA (0.55) GAAMAPTKDM4ENUDT1MAPK1
SCHEMBL2187444 0.86 GAA (0.55) GAAMAPTKDM4ENUDT1MAPK1
SCHEMBL1144185 0.84 GAA (0.60) GAAMAPTKDM4EMAPK1TSHR
SCHEMBL15650837 0.83 KDM4E (0.64) GAAMAPTKDM4EMAPK1TSHR
SCHEMBL508229 0.83 NUDT1 (0.47) GAAMAPTKDM4ENUDT1HTT
SCHEMBL5857533 0.78 KDM4E (0.54) KDM4ENUDT1ALDH1A1USP2
SCHEMBL11708171 0.77 GAA (0.64) GAAMAPTKDM4EMAPK1TSHR
Hydrochloric Acid SCHEMBL5859058 0.77 KDM4E (0.53) KDM4ENUDT1ALDH1A1USP2
Ethylene Glycol SCHEMBL10464978 0.76 KDM4E (0.61) GAAMAPTKDM4EMAPK1TSHR
SCHEMBL11703261 0.76 GAA (0.62) GAAMAPTKDM4EMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 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 (7 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885KDM4E 1662/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 940/4885MAPT 501/4885KDM4E 1409/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885KDM4E 1662/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885KDM4E 1662/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 GAA 499/4885MAPT 634/4885KDM4E 1843/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885KDM4E 1645/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885KDM4E 1645/4885

“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.