SCHEMBL725436

SCHEMBL725436

COc1ccc(-c2ccnc3cc(-c4ccc(-c5c[nH]cn5)cc4)oc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
TDO2 P48775 1/20 0.37
FYN P06241 2/20 0.37
RPS6KA3 P51812 1/20 0.36
HDAC6 Q9UBN7 2/20 0.35
CYP2A6 P11509 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
ERN1 O75460 2/20 0.33
MAPT P10636 1/20 0.33
SYK P43405 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL12503591 0.85
SCHEMBL724971 0.84 MAPK1 (0.35) MAPK1TDO2
SCHEMBL12503590 0.83 MAP3K11 (0.38) TDO2PRKAG1PRKAA1PRKAB1MAPT
SCHEMBL722815 0.82 PIK3CA (0.39) MAPK1CYP2A6
SCHEMBL724354 0.81 MAPK1 (0.33) MAPK1CYP2A6
SCHEMBL724227 0.81 VHL (0.37)
SCHEMBL15209552 0.79 FGFR1 (0.41) RPS6KA3JMJD6
SCHEMBL15216716 0.79 RPS6KA3 (0.38) TDO2FYNRPS6KA3HDAC6CYP2A6
SCHEMBL723260 0.79 TLR8 (0.39) TDO2FYNRPS6KA3HDAC6CYP2A6
SCHEMBL723550 0.78 XDH (0.41) FYNRPS6KA3HDAC6

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 MAPK1 276/4885TDO2 3086/4885FYN 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.