SCHEMBL14801209

SCHEMBL14801209

Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)OC(C)(C)C)CC(F)(F)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
MET P08581 1/20 0.42
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CYP11B2 P19099 1/20 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
SCHEMBL14800774 0.92 MAPT (0.47) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14800507 0.88 LMNA (0.45) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14801493 0.88 MAPT (0.47) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL30867889 0.87 MAPT (0.55) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14800912 0.87 ALDH1A1 (0.42) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14800169 0.86 MAPT (0.46) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14800195 0.86 MAPT (0.41) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14801433 0.85 MAPT (0.36) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL14801590 0.83 ALDH1A1 (0.51) MAPTALDH1A1LMNAMETKCNH2
SCHEMBL14800349 0.83 CYP11B2 (0.50) MAPTALDH1A1LMNAMETGPR119

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 10 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
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-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 MAPT 2217/4885ALDH1A1 1462/4885LMNA 690/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 2217/4885ALDH1A1 1462/4885LMNA 690/4885

“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.