SCHEMBL14801458

SCHEMBL14801458

Cn1ncc([N+](=O)[O-])c1N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 1/20 0.40
RET P07949 7/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
DRD2 P14416 1/20 0.35
OPRK1 P41145 2/20 0.34
PDE10A Q9Y233 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL14800365 1.00 EIF2AK4 (0.40) EIF2AK4RETCKS1BSKP1SKP2
SCHEMBL14800883 1.00 EIF2AK4 (0.40) EIF2AK4RETCKS1BSKP1SKP2
SCHEMBL14800885 1.00 EIF2AK4 (0.40) EIF2AK4RETCKS1BSKP1SKP2
SCHEMBL14801455 1.00 EIF2AK4 (0.40) EIF2AK4RETCKS1BSKP1SKP2
SCHEMBL14801429 0.89 CKS1B (0.37) EIF2AK4RETCKS1BSKP1SKP2
SCHEMBL14803007 0.89 RET (0.41) RETCKS1BSKP1SKP2DRD2
SCHEMBL14800543 0.89 RET (0.41) RETCKS1BSKP1SKP2DRD2
SCHEMBL14800205 0.86 GAA (0.37) OPRK1MAPTMAPK1
SCHEMBL14800911 0.86 GAA (0.37) OPRK1MAPTMAPK1
SCHEMBL14800665 0.86 GAA (0.37) OPRK1MAPTMAPK1

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 4 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-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

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 EIF2AK4 208/4885RET 450/4885CKS1B 165/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 EIF2AK4 208/4885RET 450/4885CKS1B 165/4885

“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.