SCHEMBL14800490

SCHEMBL14800490

Cn1ncc([N+](=O)[O-])c1N1CCCC(C(F)(F)F)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.43
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAP4K4 O95819 1/20 0.35
MAPT P10636 2/20 0.34
HTR7 P34969 1/20 0.34
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
S100A4 P26447 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
TRPV3 Q8NET8 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
SCHEMBL2523293 0.86 ALDH1A1 (0.37) PIM1LMNAALDH1A1KMT2AMEN1
SCHEMBL2518356 0.82 MAPT (0.38) PIM1LMNAGAAALDH1A1KMT2A
SCHEMBL2522272 0.82 MAPT (0.38) PIM1LMNAGAAALDH1A1KMT2A
SCHEMBL2518353 0.82 MAPT (0.38) PIM1LMNAGAAALDH1A1KMT2A
SCHEMBL14800680 0.80 PIM2 (0.44) PIM1LMNAALDH1A1KMT2AMEN1
SCHEMBL2524395 0.79 MAPT (0.39) LMNAGAAALDH1A1KMT2AMEN1
SCHEMBL14800848 0.79 PIM1 (0.48) PIM1GAAMAP4K4TRPV3
SCHEMBL14801524 0.78 IRAK4 (0.37) PIM1LMNAALDH1A1MAPT
SCHEMBL2520823 0.78 ALDH1A1 (0.50) LMNAGAAPOLBALDH1A1MAPT
SCHEMBL14800672 0.77 PIM1 (0.36) PIM1LMNAALDH1A1KMT2AMEN1

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 13 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
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
US-9505746-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2016-11-29 US disclosed
CN-103987707-A Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use HOFFMANN LA ROCHE 2014-08-13 CN 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-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-03-20 US 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
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
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 1/4885LMNA 690/4885GAA 1799/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885LMNA 690/4885GAA 1799/4885

“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.