SCHEMBL657119

SCHEMBL657119

Nc1nccc2c(Cl)c(Cl)oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.36
NOS3 P29474 4/20 0.34
NOS2 P35228 4/20 0.34
NOS1 P29475 2/20 0.34
F12 P00748 1/20 0.34
PLAU P00749 1/20 0.34
NCF1 P14598 1/20 0.34
BACE1 P56817 1/20 0.34
GMNN O75496 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
CTSA P10619 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 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
SCHEMBL660118 0.81 NOS2 (0.42) TLR8NOS3NOS2NOS1F12
SCHEMBL10217269 0.77 ALDH1A1 (0.37) GMNNALDH1A1LMNATP53CYP1A2
SCHEMBL2334159 0.68 IDO1 (0.32) GMNNALDH1A1LMNATP53CYP1A2
SCHEMBL18417649 0.65 NOS3 (0.38) TLR8NOS3NOS2NOS1F12
SCHEMBL658395 0.65 TLR8 (0.54) TLR8NOS3NOS2NOS1F12
SCHEMBL12501047 0.64 LMNA (0.48) NOS3NOS2NOS1F12PLAU
SCHEMBL24388918 0.63
SCHEMBL559525 0.63
SCHEMBL10217267 0.61 TDO2 (0.35) ALDH1A1CYP1A2POLBCYP2D6MAPT
SCHEMBL8284987 0.61 NOS2 (0.45) TLR8NOS3NOS2NOS1F12

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 TLR8 2644/4885NOS3 1415/4885NOS2 999/4885

“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.