SCHEMBL14801780

SCHEMBL14801780

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
PIM1 P11309 9/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
OPRK1 P41145 2/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL14801569 0.88 ABCC2 (0.38) TDP1MAPTPIM1OPRK1PKM
SCHEMBL14801093 0.87 MAPT (0.36) TDP1MAPTPIM1PIM3PIM2
SCHEMBL14801546 0.87 MAPT (0.36) TDP1MAPTPIM1PIM3PIM2
SCHEMBL14800543 0.86 RET (0.41) TDP1MAPTPIM1OPRK1
SCHEMBL14803007 0.86 RET (0.41) TDP1MAPTPIM1OPRK1
SCHEMBL14801043 0.85 MAPT (0.34) TDP1MAPTPIM2OPRK1KDM4E
SCHEMBL14801327 0.85 PIM1 (0.36) TDP1MAPTPIM1OPRK1KDM4E
SCHEMBL14800521 0.85 PIM1 (0.36) TDP1MAPTPIM1PIM2OPRK1
SCHEMBL14800454 0.84 PIM1 (0.42) PIM1PIM3PIM2
SCHEMBL14803323 0.84 PIM1 (0.42) PIM1PIM3PIM2

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 TDP1 610/4885MAPT 2217/4885PIM1 1/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 TDP1 610/4885MAPT 2217/4885PIM1 1/4885

“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.