SCHEMBL659278

SCHEMBL659278

CONc1nccc2ccoc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.51
TRPA1 O75762 1/20 0.40
TNF P01375 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
PDE4A P27815 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP2A13 Q16696 1/20 0.31

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
SCHEMBL20265607 0.76 ASIC3 (0.51) ASIC3TRPA1MAOA
SCHEMBL7013099 0.72 TRPA1 (0.54) ASIC3TRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL8024180 0.69 CYP2A6 (0.48) ASIC3TRPA1CYP1A2CYP3A4CYP2D6
SCHEMBL13178569 0.68 ASIC3 (0.44) ASIC3TRPA1CYP2A6
SCHEMBL658129 0.66 ASIC3 (0.41) ASIC3TRPA1CYP3A4CYP2A6MAOA
SCHEMBL26928464 0.65 ASIC3 (0.51) ASIC3TRPA1TNF
SCHEMBL30737893 0.65 ASIC3 (0.51) ASIC3TRPA1TNF
SCHEMBL30812428 0.65 TRPA1 (0.42) ASIC3TRPA1CYP2A6MAOA
SCHEMBL30491673 0.65 NOS3 (0.43) ASIC3TRPA1MAOA
SCHEMBL658524 0.65 NOS3 (0.43) ASIC3TRPA1MAOA

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 2 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
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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 (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 ASIC3 3137/4885TRPA1 1637/4885TNF 390/4885

“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.