SCHEMBL4802575

SCHEMBL4802575

COc1cc(C(=O)NCC2CC2)ccc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 4/20 0.72
TDP1 Q9NUW8 1/20 0.59
MAPK14 Q16539 7/20 0.58
F10 P00742 1/20 0.53
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
LRRK2 Q5S007 1/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
KCNH2 Q12809 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
HTR1D P28221 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL13175812 0.95 HTR4 (0.69) HTR4TDP1MAPK14F10ROCK2
SCHEMBL13175546 0.95 HTR4 (0.69) HTR4TDP1MAPK14F10PDE4A
SCHEMBL13175544 0.94 TDP1 (0.69) HTR4TDP1MAPK14
SCHEMBL13846080 0.92 HTR4 (0.67) HTR4TDP1MAPK14F10ROCK2
SCHEMBL13175541 0.91 HTR4 (0.66) HTR4TDP1MAPK14F10ROCK2
SCHEMBL4052766 0.90 HTR4 (0.77) HTR4TDP1MAPK14F10HRH1
SCHEMBL12825436 0.90 HTR4 (0.61) HTR4TDP1MAPK14F10ROCK2
SCHEMBL13652963 0.88 HTR4 (0.81) HTR4TDP1MAPK14F10HRH1
SCHEMBL13846092 0.88 HTR4 (0.61) HTR4TDP1MAPK14F10ROCK2
SCHEMBL13575608 0.88 HTR4 (0.61) HTR4TDP1MAPK14F10ROCK2

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 12 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-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US 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-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 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 (5 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 HTR4 2753/4885TDP1 1953/4885MAPK14 370/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR4 2181/4885TDP1 992/4885MAPK14 447/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK HTR4 2753/4885TDP1 1953/4885MAPK14 370/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR4 2458/4885TDP1 1914/4885MAPK14 342/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK HTR4 2458/4885TDP1 1914/4885MAPK14 342/4885

“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.