SCHEMBL14801760

SCHEMBL14801760

CC(C)(C)OC(=O)N[C@H]1CCN(c2c([N+](=O)[O-])cnn2C2CC2)CC[C@@H]1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
RET P07949 7/20 0.35
EIF2AK4 Q9P2K8 1/20 0.34
JAK3 P52333 1/20 0.34
BTK Q06187 1/20 0.34
MAP4K4 O95819 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SSTR4 P31391 1/20 0.33
DPP4 P27487 1/20 0.33
DRD2 P14416 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
JAK1 P23458 1/20 0.33
OPRK1 P41145 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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 1.00 CKS1B (0.36) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14801429 0.90 CKS1B (0.37) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14801330 0.88 RET (0.42) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14801235 0.88 RET (0.42) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14803013 0.88 RET (0.42) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14803018 0.88 CKS1B (0.38) CKS1BSKP1SKP2RETJAK3
SCHEMBL14801233 0.88 RET (0.42) CKS1BSKP1SKP2RETEIF2AK4
SCHEMBL14800678 0.88 CKS1B (0.38) CKS1BSKP1SKP2RETJAK3
SCHEMBL14801123 0.80 DPP4 (0.38) JAK3BTKMAP4K4SSTR4DPP4
SCHEMBL14801458 0.79 EIF2AK4 (0.40) CKS1BSKP1SKP2RETEIF2AK4

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.