SCHEMBL14800161

SCHEMBL14800161

COC1CCN(c2c([N+](=O)[O-])cnn2C)CC2(CC2)C1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.40
OPRK1 P41145 1/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
PKM P14618 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL14801029 0.89 PIM1 (0.38) PIM1OPRK1MAPTTDP1PIM3
SCHEMBL14838579 0.89 PIM1 (0.38) PIM1OPRK1MAPTTDP1PIM3
SCHEMBL14801122 0.85 PIM1 (0.40) PIM1OPRK1MAPTTDP1PKM
SCHEMBL14801569 0.84 ABCC2 (0.38) PIM1OPRK1MAPTTDP1PKM
SCHEMBL14800733 0.78 PIM1 (0.35) PIM1
SCHEMBL14838546 0.78 PIM1 (0.35) PIM1
SCHEMBL14801511 0.77 PIM1 (0.39) PIM1OPRK1MAPTTDP1PKM
SCHEMBL14801040 0.76 OPRK1 (0.36) PIM1OPRK1MAPTPKMGAA
SCHEMBL14801188 0.76 PIM1 (0.38) PIM1OPRK1MAPTTDP1
SCHEMBL14838549 0.76 PIM1 (0.38) PIM1OPRK1MAPTTDP1

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 PIM1 1/4885OPRK1 757/4885MAPT 2217/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885OPRK1 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.