SCHEMBL14801032

SCHEMBL14801032

COC1CN(C(=O)OC(C)(C)C)CCN(c2c([N+](=O)[O-])cnn2C)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MET P08581 1/20 0.41
KCNH2 Q12809 1/20 0.40
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
PIK3CD O00329 3/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
GPR119 Q8TDV5 4/20 0.35
USP30 Q70CQ3 1/20 0.35
MMP13 P45452 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
SCHEMBL14800947 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMETKCNH2
SCHEMBL14800385 0.87 KDM4E (0.35) ALDH1A1LMNAMAPT
SCHEMBL30867889 0.86 MAPT (0.55) ALDH1A1LMNAMAPTMETKCNH2
SCHEMBL14800795 0.84 SMARCA2 (0.39) ALDH1A1LMNAMAPTPIK3CDGPR119
SCHEMBL14801590 0.83 ALDH1A1 (0.51) ALDH1A1LMNAMAPTMETKCNH2
SCHEMBL14800478 0.82 GPR119 (0.48) ALDH1A1LMNAMAPTMETGPR119
SCHEMBL14801172 0.82 GPR119 (0.48) ALDH1A1LMNAMAPTMETGPR119
SCHEMBL14800480 0.82 GPR119 (0.48) ALDH1A1LMNAMAPTMETGPR119
SCHEMBL14800333 0.82 MAPT (0.47) ALDH1A1LMNAMAPTMETKCNH2
SCHEMBL2517030 0.81 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMETKCNH2

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