SCHEMBL658563

SCHEMBL658563

O=C(O)c1sc2cnccc2c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
HTT P42858 1/20 0.49
CASP7 P55210 1/20 0.49
NCOA1 Q15788 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RCE1 Q9Y256 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
PTGS2 P35354 2/20 0.39
PTPN1 P18031 1/20 0.39
DAPK3 O43293 3/20 0.37
PIM1 P11309 3/20 0.37
PRKACA P17612 3/20 0.37
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
RPS6KA3 P51812 3/20 0.37

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
SCHEMBL660147 0.85 KDM4E (0.51) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL16238134 0.81 ALDH1A1 (0.70) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL21950008 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL3642155 0.80 MCL1 (0.60) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL4857790 0.76 KDM4E (0.56) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL346530 0.75 MCL1 (0.62) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL31254147 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL659162 0.74 IMPDH2 (0.40) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL14230457 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL660127 0.72 KDM4E (0.40) ALDH1A1KDM4EGAAGLAHPGD

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 490/4885KDM4E 117/4885GAA 2419/4885

“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.