SCHEMBL1407131

SCHEMBL1407131

O=C(O)c1cn([C@H]2CC[C@@H](O)CC2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.38
NOTUM Q6P988 1/20 0.34
BTK Q06187 1/20 0.34
ALKBH1 Q13686 1/20 0.33
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
JAK2 O60674 7/20 0.31
JAK1 P23458 6/20 0.31
KCNH2 Q12809 1/20 0.31
CPB2 Q96IY4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
DYRK3 O43781 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
NTRK1 P04629 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
SCHEMBL1407132 1.00 LRRK2 (0.38) LRRK2NOTUMBTKALKBH1PIM1
SCHEMBL27758269 0.94 NOTUM (0.38) LRRK2NOTUMBTKALKBH1JAK2
SCHEMBL27758258 0.87 BTK (0.40) LRRK2NOTUMBTKALKBH1LMNA
SCHEMBL28863344 0.87 BTK (0.43) BTKALKBH1JAK2JAK1LMNA
SCHEMBL3069502 0.80 LRRK2 (0.35) LRRK2BTKJAK2JAK1FAAH
SCHEMBL1407057 0.79 BAZ2B (0.39) LRRK2JAK1LMNACSNK1D
SCHEMBL1407059 0.79 BAZ2B (0.39) LRRK2JAK1LMNACSNK1D
SCHEMBL23178537 0.76 LRRK2 (0.40) LRRK2JAK2CDC7PLK4DYRK3
SCHEMBL24908112 0.75 LRRK2 (0.40) LRRK2
SCHEMBL20551867 0.73 NOTUM (0.45) NOTUMBTKALKBH1JAK2JAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 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 (1 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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 LRRK2 4013/4885NOTUM 318/4885BTK 3840/4885

“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.