Sugi Predict

Sugi Predict / Compounds / SCHEMBL5021272

SCHEMBL5021272

SCHEMBL5021272

Cc1nn(C2CCN(C(=O)C3(C)CC3)CC2)cc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.35
▸ KDM5A P29375 2/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ TLR8 Q9NR97 3/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ GPR55 Q9Y2T6 2/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BTK Q06187 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CA P42336 1/20 0.31

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
SCHEMBL5021277 0.82 LRRK2 (0.46) LRRK2KDM5AIRAK4
SCHEMBL5021274 0.80 LRRK2 (0.41) LRRK2KDM5A
SCHEMBL15651697 0.79 LRRK2 (0.42) NAMPTLRRK2KDM5AGPR55CNR1
SCHEMBL15651029 0.78 KDM5A (0.48) NAMPTKDM5ASMYD3IRAK4
SCHEMBL17610375 0.76 CTSD (0.46) GPR119IRAK4
SCHEMBL21863534 0.75 DRD2 (0.37) LRRK2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL21411126 0.75 AOC2 (0.32) NAMPTSMYD3DRD2BTK
SCHEMBL17076849 0.74 NAMPT (0.39) NAMPTCHRM4GPR119SMYD3TLR8
SCHEMBL5021276 0.74 GAA (0.46) LRRK2TLR8DRD2DRD4DRD3
SCHEMBL22875376 0.74 MAP3K7 (0.36) NAMPTKDM5ABTKIRAK4PIK3R1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 — — EP disclosed
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 — — US disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 — — EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 — — EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 — — EP disclosed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 — — EP 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
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 — — EP disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 — — EP disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — US disclosed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 — — 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
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — US disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — US disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 — — 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 NAMPT 3598/4885LRRK2 1/4885CHRM4 1264/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK NAMPT 3598/4885LRRK2 1/4885CHRM4 1264/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NAMPT 3545/4885LRRK2 1/4885CHRM4 1450/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 NAMPT 2176/4885LRRK2 1/4885CHRM4 1375/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK NAMPT 3545/4885LRRK2 1/4885CHRM4 1450/4885

“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.