SCHEMBL3315822

SCHEMBL3315822

COc1cc(N2CCN(C(C)(C)CO)CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.39
GAA P10253 3/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 5/20 0.39
HTR7 P34969 1/20 0.39
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
PTK2B Q14289 1/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
CCR1 P32246 2/20 0.37
LMNA P02545 2/20 0.36
SCN9A Q15858 1/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL11291219 0.85 ALDH1A1 (0.43) GAARAD52ALDH1A1HTR7HTT
SCHEMBL15358736 0.83 ALDH1A1 (0.53) GAARAD52ALDH1A1HTR7HTT
SCHEMBL16640696 0.80 HTR7 (0.43) GAARAD52ALDH1A1HTR7HTT
SCHEMBL3315497 0.79 SIRT6 (0.66) ALDH1A1HTTKDM4EMAPTMAPK1
SCHEMBL13362139 0.79 GAA (0.45) GAARAD52ALDH1A1HTR7HTT
SCHEMBL2234370 0.78 GAA (0.47) GAARAD52HTR7HSD17B10ADORA2B
SCHEMBL13362045 0.77 MAPT (0.41) GAARAD52ALDH1A1HTR7HTT
SCHEMBL3309196 0.77 GAA (0.40) GAARAD52ALDH1A1HTR7HTT
SCHEMBL15651516 0.77 MAPT (0.53) GAARAD52ALDH1A1HTTKDM4E
SCHEMBL438444 0.77 MAPT (0.63) GAAALDH1A1HTTKDM4EMAPT

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 11 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-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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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 (6 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 TMEM97 3258/4885GAA 742/4885RAD52 3338/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK TMEM97 4051/4885GAA 940/4885RAD52 3930/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK TMEM97 3258/4885GAA 742/4885RAD52 3338/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TMEM97 3452/4885GAA 698/4885RAD52 3129/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS TMEM97 3170/4885GAA 1003/4885RAD52 1276/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK TMEM97 3452/4885GAA 698/4885RAD52 3129/4885

“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.