SCHEMBL722137

SCHEMBL722137

COc1ccc(-c2ccnc3cc(-c4ccc(OC(F)F)cc4)oc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.39
RPS6KA3 P51812 1/20 0.39
FYN P06241 2/20 0.37
F2RL3 Q96RI0 3/20 0.37
HDAC6 Q9UBN7 1/20 0.36
TDO2 P48775 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP2A6 P11509 1/20 0.35
RCE1 Q9Y256 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
PIK3CA P42336 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
RET P07949 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL723095 0.86 MAT2A (0.34) MAT2AF2RL3HDAC6
SCHEMBL10267284 0.85 MAOB (0.35) MAT2AF2RL3HDAC6
SCHEMBL724906 0.85 CYP1A1 (0.35) MAT2ATDO2PDE10A
SCHEMBL723329 0.84 MAPT (0.39) MAT2ATDO2
SCHEMBL723260 0.84 TLR8 (0.39) RPS6KA3FYNHDAC6TDO2CYP2A6
SCHEMBL725000 0.83 MAT2A (0.36) MAT2ANPC1PDE10A
SCHEMBL725015 0.83 CYP3A4 (0.42) KDM4ENPC1CYP2A6PIK3CA
SCHEMBL724002 0.82 MAT2A (0.37) MAT2ANPC1F2RL3CYP2A6
SCHEMBL724789 0.80 MET (0.40) MAT2ARPS6KA3FYNGRIN2BRET
SCHEMBL15216716 0.80 RPS6KA3 (0.38) NPC1RPS6KA3FYNHDAC6TDO2

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 MAT2A 4263/4885KDM4E 1009/4885NPC1 4244/4885

“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.