SCHEMBL659147

SCHEMBL659147

CC(C)(C)Sc1cccc(Br)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2A6 P11509 1/20 0.31
PRKDC P78527 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL9952352 0.87 MEN1 (0.38) MEN1ALDH1A1KMT2ATDP1
SCHEMBL15915417 0.74 HTR7 (0.42) ALDH1A1CA1CA2CA4CA6
SCHEMBL31303112 0.74 AOC3 (0.42) PRKDCCA1CA2
SCHEMBL20570782 0.74 MEN1 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL25234795 0.74 AOC3 (0.42) PRKDCCA1CA2
SCHEMBL610877 0.73 ALDH1A1 (0.48) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL28753820 0.73 ALDH1A1 (0.33) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL658069 0.71 CYP2A6 (0.38) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL28941890 0.71 MEN1 (0.36) ERN1MEN1ALDH1A1KMT2ATDP1
SCHEMBL6934720 0.71 AOC3 (0.37) MEN1ALDH1A1KMT2ATDP1

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 ERN1 1589/4885MEN1 296/4885ALDH1A1 490/4885

“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.