SCHEMBL659676

SCHEMBL659676

CC(C)(C)Sc1c(Br)cc([N+](=O)[O-])cc1/C=N/O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 6/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 7/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 2/20 0.43
ESPL1 Q14674 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.36
GALR3 O60755 1/20 0.36
SLC2A1 P11166 1/20 0.35
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
ACHE P22303 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL659677 1.00 KMT2A (0.44) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL659094 0.83 ERN1 (0.42) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL659017 0.77 ALDH1A1 (0.33) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL659016 0.77 ALDH1A1 (0.33) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL660821 0.71 ALOX12 (0.45) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL660820 0.71 ALOX12 (0.45) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL29495242 0.70 HPGD (0.37) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL17769216 0.70 HPGD (0.37) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL17769218 0.70 HPGD (0.37) KMT2AALDH1A1MEN1L3MBTL1MAPT
SCHEMBL658478 0.70 MEN1 (0.31) KMT2AALDH1A1MEN1L3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO 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 (1 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 KMT2A 669/4885ALDH1A1 490/4885MEN1 296/4885

“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.