SCHEMBL14801754

SCHEMBL14801754

O=[N+]([O-])c1cnn(CC(F)F)c1N1CCCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.46
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL27979958 0.88 LMNA (0.42) PIM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14800254 0.81 PIM1 (0.41) PIM1ALDH1A1POLB
SCHEMBL14800253 0.81 PIM1 (0.41) PIM1ALDH1A1POLB
SCHEMBL14801000 0.80 PIM1 (0.51) PIM1
SCHEMBL14800807 0.80 PIM1 (0.36) PIM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14800805 0.80 PIM1 (0.36) PIM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL14800754 0.79 PIM1 (0.38) PIM1ALDH1A1MAPTLMNAPOLB
SCHEMBL14800598 0.79 PIM1 (0.34) PIM1
SCHEMBL14803069 0.79 PIM1 (0.34) PIM1
SCHEMBL14801223 0.78 GPR174 (0.32) PIM1ALDH1A1MEN1KMT2AMAPT

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 7 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
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-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 1/4885ALDH1A1 1462/4885MEN1 2840/4885
US-20140080801-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 PIM1 1/4885ALDH1A1 1462/4885MEN1 2840/4885

“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.