SCHEMBL14800613

SCHEMBL14800613

Nc1cnn(CC(F)(F)F)c1N1CCC[C@@H](NC(=O)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.42
PIM1 P11309 7/20 0.38
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PIK3CD O00329 1/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
HTR1A P08908 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 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
SCHEMBL14800616 1.00 HPGDS (0.42) HPGDSPIM1PIM3PIM2CCNA2
SCHEMBL14831765 0.84 PIM1 (0.44) PIM1PIM3PIM2
SCHEMBL14801554 0.84 PIM1 (0.44) PIM1PIM3PIM2
SCHEMBL2522384 0.75 OPRK1 (0.39) HPGDSPIM1PIM3PIM2JAK3
SCHEMBL12234251 0.75 DRD2 (0.37) HPGDSDRD2HTR2ADRD3HTR1A
SCHEMBL2524619 0.75 OPRK1 (0.39) HPGDSPIM1PIM3PIM2JAK3
SCHEMBL2519198 0.75 OPRK1 (0.39) HPGDSPIM1PIM3PIM2JAK3
SCHEMBL2521982 0.73 OPRK1 (0.36) HPGDSDRD2HTR2ADRD3HTR1A
SCHEMBL2521985 0.73 OPRK1 (0.36) HPGDSDRD2HTR2ADRD3HTR1A
SCHEMBL14800253 0.73 PIM1 (0.41) HPGDSPIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103987707-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2014-08-13 CN disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US disclosed
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 HPGDS 860/4885PIM1 1/4885PIM3 3/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 HPGDS 860/4885PIM1 1/4885PIM3 3/4885

“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.