SCHEMBL723622

SCHEMBL723622

Nc1ccc(-c2ccnc3cc(-c4ccc(CCO)cc4)oc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
MTOR P42345 5/20 0.33
MAP4K4 O95819 4/20 0.33
TNIK Q9UKE5 2/20 0.33
KCNH2 Q12809 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TKT P29401 1/20 0.32
ALK Q9UM73 1/20 0.32
RIPK1 Q13546 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL724885 0.87 MAPKAPK2 (0.35) MAPKAPK2RIPK1
SCHEMBL723867 0.85 PRKAB2 (0.36) CYP1A2CYP1A1CYP1B1MTORMAP4K4
SCHEMBL723393 0.85 MAPKAPK2 (0.35) MAPKAPK2CYP1A2RIPK1
SCHEMBL723599 0.84 PIK3CA (0.43) MAPKAPK2CYP1A2RIPK1
SCHEMBL723017 0.83 SYK (0.38) MAPKAPK2KCNH2
SCHEMBL722906 0.83 GRM2 (0.36) MAPKAPK2KCNH2PDE10A
SCHEMBL15216716 0.83 RPS6KA3 (0.38)
SCHEMBL724853 0.82 CD38 (0.34) MAPKAPK2RIPK1
SCHEMBL724193 0.80 MET (0.46) MAP4K4
SCHEMBL723447 0.80 FYN (0.38) CYP1A2CYP1A1CYP1B1MTORRIPK1

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 10 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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP claimed
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN 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
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-20130225569-A1 FUROPYRIDINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-08-29 US disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 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-20130225569-A1 FUROPYRIDINE DERIVATIVES SYK, FCGRT, SSB MAPKAPK2 867/4885CYP1A2 908/4885CYP1A1 452/4885

“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.