SCHEMBL2522384

SCHEMBL2522384

CCn1ncc([N+](=O)[O-])c1N1CCC[C@H](NC(=O)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDE4B Q07343 1/20 0.36
POLB P06746 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGDS O60760 2/20 0.35
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 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
SCHEMBL2519198 1.00 OPRK1 (0.39) OPRK1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2524619 1.00 OPRK1 (0.39) OPRK1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2521982 0.90 OPRK1 (0.36) OPRK1ALDH1A1SMN1; SMN2POLBHPGDS
SCHEMBL2521985 0.90 OPRK1 (0.36) OPRK1ALDH1A1SMN1; SMN2POLBHPGDS
SCHEMBL14800253 0.90 PIM1 (0.41) OPRK1ALDH1A1PIM1PIM2POLB
SCHEMBL14800254 0.90 PIM1 (0.41) OPRK1ALDH1A1PIM1PIM2POLB
SCHEMBL2521729 0.86 OPRK1 (0.39) OPRK1ALDH1A1LMNAPOLBMAPT
SCHEMBL2521732 0.86 OPRK1 (0.39) OPRK1ALDH1A1LMNAPOLBMAPT
SCHEMBL2523511 0.85 OPRK1 (0.39) OPRK1ALDH1A1LMNAPIM1PIM3
SCHEMBL2523507 0.85 OPRK1 (0.39) OPRK1ALDH1A1LMNAPIM1PIM3

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 27 patents — showing the first 20. 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-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
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
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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 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
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
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
WO-2011124580-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 WO disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 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 (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 OPRK1 797/4885ALDH1A1 1703/4885SMN1; SMN2 2907/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 OPRK1 797/4885ALDH1A1 1703/4885SMN1; SMN2 2907/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 OPRK1 797/4885ALDH1A1 1703/4885SMN1; SMN2 2907/4885
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 OPRK1 757/4885ALDH1A1 1462/4885SMN1; SMN2 2578/4885

“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.