Sugi Predict

Sugi Predict / Compounds / SCHEMBL13723942

SCHEMBL13723942

SCHEMBL13723942

COc1cc(N)ccc1N1CC(C)(O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 2/20 0.51
▸ ALDH1A1 P00352 9/20 0.41
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ ALDH1A3 P47895 1/20 0.37
▸ SNCA P37840 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP19A1 P11511 4/20 0.35
▸ THRB P10828 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL15650361 0.88 NR4A1 (0.47) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL14320542 0.88 NR4A1 (0.47) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL17076804 0.88 NR4A1 (0.47) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL13725112 0.86 NR4A1 (0.44) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL13723749 0.85 NR4A1 (0.49) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL21280421 0.84 NR4A1 (0.48) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL13724216 0.84 MAPT (0.45) NR4A1ALDH1A1MAPTKDM4EGAA
SCHEMBL16440142 0.83 ACHE (0.44) ALDH1A1LMNAGAATSHRHTT
SCHEMBL15358685 0.80 NR4A1 (0.61) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL16437257 0.79 ALDH1A1 (0.40) ALDH1A1KDM4ELMNATSHRMEN1

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-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
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 — — CN 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-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 NR4A1 3962/4885ALDH1A1 4333/4885MAPT 470/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NR4A1 3992/4885ALDH1A1 3674/4885MAPT 501/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NR4A1 3962/4885ALDH1A1 4333/4885MAPT 470/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 3962/4885ALDH1A1 4333/4885MAPT 470/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 NR4A1 4703/4885ALDH1A1 4394/4885MAPT 634/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 4077/4885ALDH1A1 4184/4885MAPT 438/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NR4A1 4077/4885ALDH1A1 4184/4885MAPT 438/4885

“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.