SCHEMBL723095

SCHEMBL723095

Oc1ccc(-c2ccnc3cc(-c4ccc(OC(F)F)cc4)oc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 3/20 0.34
GSK3A P49840 3/20 0.34
GSK3B P49841 3/20 0.34
GRM2 Q14416 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAOB P27338 2/20 0.32
PTGER4 P35408 1/20 0.32
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32
BMPR1B O00238 1/20 0.31
ACVR1B P36896 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
F2RL3 Q96RI0 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL724906 0.88 CYP1A1 (0.35) MAT2AGSK3AGSK3BGRM2CYP3A4
SCHEMBL722137 0.86 MAT2A (0.45) MAT2AF2RL3HDAC6
SCHEMBL725000 0.86 MAT2A (0.36) MAT2AGSK3AGSK3BGRM2CYP3A4
SCHEMBL10267284 0.86 MAOB (0.35) MAT2AGSK3AGSK3BGRM2CYP3A4
SCHEMBL725015 0.85 CYP3A4 (0.42) GSK3AGSK3BGRM2CYP3A4CYP2C9
SCHEMBL724002 0.85 MAT2A (0.37) MAT2AGSK3AGSK3BGRM2CYP3A4
SCHEMBL723329 0.85 MAPT (0.39) MAT2AGSK3AGSK3BPTGER4BMPR1B
SCHEMBL723926 0.83 CA12 (0.34) CYP3A4CYP2C9CYP2C19MAOBMAOA
SCHEMBL15216701 0.81 P4HTM (0.35) MAT2AGSK3AGSK3BCYP3A4CYP2C9
SCHEMBL724789 0.81 MET (0.40) MAT2AGSK3AGSK3BBMPR1BACVR1B

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 4263/4885GSK3A 1825/4885GSK3B 1801/4885

“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.