SCHEMBL659432

SCHEMBL659432

N#Cc1c(N)c([N+](=O)[O-])cc(Br)c1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 1/20 0.45
CTSB P07858 1/20 0.44
VCAM1 P19320 4/20 0.38
XDH P47989 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GRIA1 P42261 2/20 0.33
GRIA2 P42262 2/20 0.33
GRIA3 P42263 2/20 0.33
GRIA4 P48058 2/20 0.33
GRM6 O15303 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 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
SCHEMBL29153743 0.83 CTSB (0.40) ALDH1A1CYP3A4CTSBVCAM1MAPT
SCHEMBL27096267 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBVCAM1XDH
SCHEMBL29478930 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CTSBVCAM1XDH
SCHEMBL3306079 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL17042143 0.77 ALDH1A1 (0.38) ALDH1A1CYP3A4CTSBVCAM1XDH
SCHEMBL16972835 0.75 ALDH1A1 (0.49) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2
SCHEMBL2850990 0.73 XDH (0.45) ALDH1A1CYP3A4VCAM1XDHMAPT
SCHEMBL17041985 0.73 TRPV4 (0.37) ALDH1A1VCAM1MAPTSMN1; SMN2LMNA
SCHEMBL9899689 0.73 TDP1 (0.42) ALDH1A1VCAM1XDHMAPTSMN1; SMN2
SCHEMBL31451782 0.72 ALDH1A1 (0.46) ALDH1A1CYP3A4CTSBMAPTSMN1; SMN2

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 ALDH1A1 490/4885CYP3A4 637/4885CTSB 3882/4885

“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.