SCHEMBL2518356

SCHEMBL2518356

Cn1ncc([N+](=O)[O-])c1N1CCC(F)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PIM1 P11309 3/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL2518353 1.00 MAPT (0.38) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2522272 1.00 MAPT (0.38) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2523293 0.93 ALDH1A1 (0.37) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2524395 0.92 MAPT (0.39) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2515869 0.85 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2522631 0.85 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL2515867 0.85 MEN1 (0.39) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL14800752 0.83 PIM1 (0.36) MAPTMEN1KMT2APIM1GAA
SCHEMBL14800490 0.82 PIM1 (0.43) MAPTALDH1A1MEN1KMT2APIM1
SCHEMBL14800609 0.82 PIM1 (0.36) MAPTALDH1A1MEN1KMT2APIM1

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-9573943-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use GENENTECH, INC. (US) 2017-02-21 US disclosed
US-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-05-08 US disclosed
US-8669361-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-03-11 US disclosed
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2013-08-08 US disclosed
US-8436001-B2 Pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2013-05-07 US disclosed
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-10-13 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 (3 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-20140128376-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 1847/4885MAPK1 255/4885ALDH1A1 1703/4885
US-20110251176-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 1847/4885MAPK1 255/4885ALDH1A1 1703/4885
US-20130203732-A1 PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM2, PIM3 MAPT 1847/4885MAPK1 255/4885ALDH1A1 1703/4885

“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.