SCHEMBL14686263

SCHEMBL14686263

CN(C(=O)O)C1CCN(c2[nH]ncc2N)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.33
PDPK1 O15530 1/20 0.33
MAP4K4 O95819 1/20 0.33
OPRD1 P41143 2/20 0.32
NPY5R Q15761 2/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
CHIA Q9BZP6 1/20 0.32
JAK2 O60674 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
DYRK1A Q13627 1/20 0.32
JAK1 P23458 1/20 0.32
CCR5 P51681 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NR4A1 P22736 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL2520154 0.78 AKT2 (0.32)
SCHEMBL2519748 0.74 PIM1 (0.39) MAP4K4OPRD1
SCHEMBL27906980 0.73 PIM1 (0.34) JAK3PDPK1JAK2
SCHEMBL27890417 0.73 PAK1 (0.43) OPRK1JAK1
SCHEMBL15771417 0.73 MAPT (0.46) NPY5RCYP46A1CCR5KDM4EPOLB
SCHEMBL3123617 0.71 GFER (0.50) NPY5RKDM4EPOLBGAAHSD17B10
SCHEMBL23573204 0.69 POLB (0.51) POLBALDH1A1
SCHEMBL2566137 0.69 MAP4K4 (0.38) JAK3MAP4K4OPRD1JAK2OPRM1
SCHEMBL20507404 0.69 OPRK1 (0.42) JAK3NPY5RJAK2OPRK1JAK1
SCHEMBL23089053 0.68 MAP4K4 (0.42) MAP4K4OPRD1NPY5ROPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
EP-2556066-B1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
CN-103987707-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2014-08-13 CN disclosed
EP-2760857-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2014-08-06 EP disclosed
US-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 US disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 US disclosed
US-8614206-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-12-24 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 US disclosed
US-8436001-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-07 US disclosed
WO-2013045461-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-04-04 WO disclosed
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 US disclosed
EP-2556066-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2013-02-13 EP disclosed
CN-102933572-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2013-02-13 CN 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 (4 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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 JAK3 270/4885PDPK1 48/4885MAP4K4 32/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 JAK3 270/4885PDPK1 48/4885MAP4K4 32/4885
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 JAK3 310/4885PDPK1 72/4885MAP4K4 31/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 JAK3 310/4885PDPK1 72/4885MAP4K4 31/4885

“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.