SCHEMBL1269804

SCHEMBL1269804

COC(=O)c1ncc2c(-c3ccccc3)coc2c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
ALOX12 P18054 1/20 0.45
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NEK1 Q96PY6 1/20 0.40
SGK1 O00141 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
MET P08581 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL1269099 0.81 EGLN1 (0.61) EGLN1
SCHEMBL31636596 0.78 TOP2A (0.50) ALOX15ERCC1FEN1ERCC4GABRA1
SCHEMBL2774946 0.73 KDM4E (0.53) ERCC1FEN1ERCC4SMN1; SMN2ALDH1A1
SCHEMBL31266928 0.72 NPSR1 (0.40) ERCC1FEN1ERCC4SMN1; SMN2ALDH1A1
SCHEMBL12503032 0.72 EGLN1 (0.68) EGLN1
SCHEMBL31636591 0.72 TDO2 (0.57) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL12502693 0.71 EGLN1 (0.72) EGLN1
SCHEMBL12502916 0.71 EGLN1 (0.67) EGLN1
SCHEMBL17867642 0.71 FGFR1 (0.50) ALOX15ERCC1FEN1ERCC4GABRA1
SCHEMBL15268403 0.70 EGLN2 (0.61) ALOX15ERCC1FEN1ERCC4SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A ALOX15 1986/4885ALOX12 2012/4885ERCC1 4260/4885

“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.