SCHEMBL723550

SCHEMBL723550

COc1ccc(-c2ccnc3cc(-c4ccc(-c5nn[nH]n5)cc4)oc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.41
ALDH1A1 P00352 2/20 0.40
FYN P06241 2/20 0.38
HPGDS O60760 1/20 0.38
TNKS O95271 1/20 0.38
TP53 P04637 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ADH5 P11766 1/20 0.36
MAP4K4 O95819 1/20 0.36
RPS6KA3 P51812 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL723549 0.85 HPGDS (0.41) XDHHPGDSTNKSADH5MAP4K4
SCHEMBL722395 0.84 MAP4K4 (0.42) HPGDSTNKSADH5MAP4K4CLK1
SCHEMBL724567 0.84 HPGDS (0.38) XDHALDH1A1HPGDSTNKSTP53
SCHEMBL725126 0.82 CYP2A6 (0.53) XDHHPGDSTNKSADH5
SCHEMBL15216706 0.82 XDH (0.52) XDHALDH1A1HPGDSTNKSTP53
SCHEMBL15209734 0.82 HPGDS (0.38) XDHALDH1A1HPGDSTNKSTP53
SCHEMBL725436 0.78 MAPK1 (0.39) FYNHDAC6RPS6KA3
SCHEMBL15209552 0.78 FGFR1 (0.41) RPS6KA3
SCHEMBL10268096 0.78 HDAC6 (0.38) FYNHDAC6RPS6KA3
SCHEMBL723260 0.78 TLR8 (0.39) FYNHDAC6RPS6KA3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US claimed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US claimed
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO claimed
EP-2609100-B1 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-9006440-B2 Furopyridine derivatives MERCK PATENT GMBH (DE) 2015-04-14 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
US-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB XDH 2098/4885ALDH1A1 1457/4885FYN 33/4885

“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.