SCHEMBL14800930

SCHEMBL14800930

CC(C)(C)OC(=O)N[C@H]1CCN(c2c([N+](=O)[O-])cnn2CC(F)F)CC[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
PIM1 P11309 4/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
DRD2 P14416 1/20 0.33
GPR174 Q9BXC1 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MET P08581 1/20 0.32
OPRK1 P41145 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
SCHEMBL14800929 1.00 RET (0.37) RETEIF2AK4PIM1CKS1BSKP1
SCHEMBL14800754 0.86 PIM1 (0.38) PIM1GPR174MAPTTDP1
SCHEMBL14800365 0.85 EIF2AK4 (0.40) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL14800883 0.85 EIF2AK4 (0.40) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL14801455 0.85 EIF2AK4 (0.40) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL14801458 0.85 EIF2AK4 (0.40) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL14800885 0.85 EIF2AK4 (0.40) RETEIF2AK4CKS1BSKP1SKP2
SCHEMBL14803018 0.82 CKS1B (0.38) RETPIM1CKS1BSKP1SKP2
SCHEMBL14800678 0.82 CKS1B (0.38) RETPIM1CKS1BSKP1SKP2
SCHEMBL14801856 0.82 PIM1 (0.38) PIM1CKS1BSKP1SKP2DRD2

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 9 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
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US 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-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
US-20130079321-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-03-28 US 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 RET 450/4885EIF2AK4 208/4885PIM1 1/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 RET 450/4885EIF2AK4 208/4885PIM1 1/4885

“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.