SCHEMBL4889839

SCHEMBL4889839

Nc1ccc(CCN2CCCC2CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 9/20 0.67
SPHK1 Q9NYA1 9/20 0.67
HRH3 Q9Y5N1 4/20 0.52
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL4889834 1.00 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL8879669 0.85 SPHK2 (0.67) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL15921347 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL15921348 0.85 SPHK2 (0.71) SPHK2SPHK1HRH3
SCHEMBL12156622 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL3197717 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL3562460 0.84 SPHK1 (0.60) SPHK2SPHK1
SCHEMBL27627908 0.84 SPHK2 (0.66) SPHK2SPHK1HRH3
SCHEMBL4804878 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL4804888 0.82 SPHK2 (0.64) SPHK2SPHK1HRH3SIGMAR1

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 19 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
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-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
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-15 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 (8 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 SPHK2 179/4885SPHK1 183/4885HRH3 542/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK SPHK2 114/4885SPHK1 105/4885HRH3 662/4885
US-20080114007-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE FLT3, FES, ALK SPHK2 1171/4885SPHK1 982/4885HRH3 1544/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK SPHK2 179/4885SPHK1 183/4885HRH3 542/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK SPHK2 179/4885SPHK1 183/4885HRH3 542/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 SPHK2 280/4885SPHK1 309/4885HRH3 1279/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SPHK2 178/4885SPHK1 172/4885HRH3 592/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK SPHK2 178/4885SPHK1 172/4885HRH3 592/4885

“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.