SCHEMBL14801429

SCHEMBL14801429

Cn1ncc([N+](=O)[O-])c1N1CCC(F)C(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
DRD2 P14416 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RET P07949 7/20 0.34
SSTR4 P31391 1/20 0.34
PDE10A Q9Y233 1/20 0.34
EIF2AK4 Q9P2K8 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
OPRK1 P41145 1/20 0.33
DPP4 P27487 1/20 0.33
PIM1 P11309 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
SCHEMBL14801759 0.90 CKS1B (0.36) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14801760 0.90 CKS1B (0.36) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14801458 0.89 EIF2AK4 (0.40) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14800365 0.89 EIF2AK4 (0.40) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14800885 0.89 EIF2AK4 (0.40) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14801455 0.89 EIF2AK4 (0.40) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14800883 0.89 EIF2AK4 (0.40) CKS1BSKP1SKP2DRD2MAPT
SCHEMBL14800678 0.89 CKS1B (0.38) CKS1BSKP1SKP2DRD2RET
SCHEMBL14803018 0.89 CKS1B (0.38) CKS1BSKP1SKP2DRD2RET
SCHEMBL14801123 0.88 DPP4 (0.38) DRD2SSTR4DPP4PIM1

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 6 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
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-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 CKS1B 165/4885SKP1 579/4885SKP2 430/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 CKS1B 165/4885SKP1 579/4885SKP2 430/4885

“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.