SCHEMBL14801569

SCHEMBL14801569

COC1CCN(c2c([N+](=O)[O-])cnn2C)CCC1NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCC2 Q92887 1/20 0.38
OPRK1 P41145 1/20 0.37
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.35
PIM1 P11309 3/20 0.35

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
SCHEMBL14800723 0.89 ABCC2 (0.39) ABCC2OPRK1MAPTTDP1PIM1
SCHEMBL14801780 0.88 TDP1 (0.38) OPRK1MAPTTDP1PKMPIM1
SCHEMBL14800331 0.88 SMN1; SMN2 (0.38) ABCC2OPRK1MAPTTDP1PIM1
SCHEMBL14803007 0.87 RET (0.41) OPRK1MAPTTDP1PIM1
SCHEMBL14800543 0.87 RET (0.41) OPRK1MAPTTDP1PIM1
SCHEMBL14800205 0.86 GAA (0.37) OPRK1MAPTPKMGAA
SCHEMBL14800664 0.86 GAA (0.37) OPRK1MAPTPKMGAA
SCHEMBL14800665 0.86 GAA (0.37) OPRK1MAPTPKMGAA
SCHEMBL14800207 0.86 GAA (0.37) OPRK1MAPTPKMGAA
SCHEMBL14800911 0.86 GAA (0.37) OPRK1MAPTPKMGAA

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 ABCC2 2222/4885OPRK1 757/4885MAPT 2217/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 ABCC2 2222/4885OPRK1 757/4885MAPT 2217/4885

“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.