Sugi Predict

Sugi Predict / Compounds / SCHEMBL13723948

SCHEMBL13723948

SCHEMBL13723948

COCCOc1cc(N)ccc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ KDM1A O60341 1/20 0.49
▸ P2RY12 Q9H244 1/20 0.46
▸ BRAF P15056 2/20 0.45
▸ KCNH2 Q12809 1/20 0.42
▸ PIK3CA P42336 4/20 0.42
▸ MTOR P42345 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ LGMN Q99538 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LRRK2 Q5S007 1/20 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
SCHEMBL12527305 0.99 GAA (0.52) GAAMAPTSMN1; SMN2KDM1AP2RY12
SCHEMBL20631337 0.86 MAPT (0.54) GAAMAPTSMN1; SMN2KDM1ABRAF
SCHEMBL14320302 0.84 MAPT (0.55) GAAMAPTSMN1; SMN2BRAFPIK3CA
SCHEMBL13723923 0.84 SMN1; SMN2 (0.58) GAAMAPTSMN1; SMN2BRAFKDM4E
SCHEMBL77893 0.84 GAA (0.61) GAAMAPTSMN1; SMN2BRAFKCNH2
SCHEMBL20630878 0.83 P2RY12 (0.49) MAPTSMN1; SMN2KDM1AP2RY12KCNH2
SCHEMBL20630912 0.82 GAA (0.59) GAAMAPTSMN1; SMN2BRAFKCNH2
Hydrochloric Acid SCHEMBL5014134 0.82 MAPT (0.52) GAAMAPTSMN1; SMN2P2RY12KDM4E
SCHEMBL25196556 0.81 SMN1; SMN2 (0.51) GAAMAPTSMN1; SMN2P2RY12BRAF
SCHEMBL30376114 0.81 SMN1; SMN2 (0.51) GAAMAPTSMN1; SMN2P2RY12BRAF

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 18 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-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-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-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS 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 470/4885SMN1; SMN2 882/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 940/4885MAPT 501/4885SMN1; SMN2 835/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885SMN1; SMN2 882/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK GAA 742/4885MAPT 470/4885SMN1; SMN2 882/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 GAA 499/4885MAPT 634/4885SMN1; SMN2 609/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885SMN1; SMN2 986/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK GAA 698/4885MAPT 438/4885SMN1; SMN2 986/4885

“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.