SCHEMBL721958

SCHEMBL721958

c1cc(-c2cncs2)c2oc(-c3ccc(-c4nn[nH]n4)cc3)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
XDH P47989 1/20 0.38
ADH5 P11766 8/20 0.38
HPGDS O60760 1/20 0.37
SGK1 O00141 1/20 0.35
AXL P30530 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAP4K4 O95819 1/20 0.35
CLK1 P49759 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
RPA1 P27694 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL15216706 0.84 XDH (0.52) TNKSXDHADH5HPGDSSGK1
SCHEMBL725126 0.82 CYP2A6 (0.53) TNKSXDHADH5HPGDSSGK1
SCHEMBL722395 0.82 MAP4K4 (0.42) TNKSADH5HPGDSMAP4K4CLK1
SCHEMBL723549 0.81 HPGDS (0.41) TNKSXDHADH5HPGDSSGK1
SCHEMBL15216707 0.78 MYC (0.41) TNKSXDHADH5HPGDSCYP2A6
SCHEMBL724128 0.77 PIM1 (0.31)
SCHEMBL15209734 0.77 HPGDS (0.38) TNKSXDHADH5HPGDSSGK1
SCHEMBL724567 0.77 HPGDS (0.38) TNKSXDHADH5HPGDSMAP4K4
SCHEMBL723550 0.77 XDH (0.41) TNKSXDHADH5HPGDSMAP4K4
SCHEMBL723453 0.77 CCNC (0.40) DYRK1A

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 TNKS 796/4885XDH 2098/4885ADH5 4181/4885

“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.