SCHEMBL14801546

SCHEMBL14801546

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SSTR4 P31391 3/20 0.35
PIM1 P11309 10/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SSTR1 P30872 1/20 0.34
MAP4K4 O95819 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
GSK3B P49841 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
SCHEMBL14801093 0.90 MAPT (0.36) MAPTTDP1PIM1KDM4EHPGD
SCHEMBL14833473 0.89 GAA (0.36) MAPTTDP1PIM1KDM4EHPGD
SCHEMBL14801327 0.87 PIM1 (0.36) MAPTTDP1SSTR4PIM1KDM4E
SCHEMBL14801780 0.87 TDP1 (0.38) MAPTTDP1PIM1KDM4EHPGD
SCHEMBL14800521 0.87 PIM1 (0.36) MAPTTDP1SSTR4PIM1KDM4E
SCHEMBL14801043 0.87 MAPT (0.34) MAPTTDP1KDM4EHPGDPOLB
SCHEMBL14800672 0.87 PIM1 (0.36) MAPTSSTR4PIM1PIM3PIM2
SCHEMBL14801429 0.85 CKS1B (0.37) MAPTTDP1SSTR4PIM1DRD2
SCHEMBL14800740 0.84 MAPT (0.35) MAPTTDP1KDM4EHPGDPOLB
SCHEMBL14800472 0.84 MAPT (0.35) MAPTTDP1KDM4EHPGDPOLB

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 MAPT 2217/4885TDP1 610/4885SSTR4 3066/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 2217/4885TDP1 610/4885SSTR4 3066/4885

“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.