SCHEMBL725015

SCHEMBL725015

FC(F)Oc1ccc(-c2cc3nccc(-c4cccnc4)c3o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CA P42336 1/20 0.39
GSK3A P49840 3/20 0.38
GSK3B P49841 3/20 0.38
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 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
SCHEMBL724002 0.89 MAT2A (0.37) CYP3A4CYP2C19CYP2C9GSK3AGSK3B
SCHEMBL723095 0.85 MAT2A (0.34) CYP3A4CYP2C19CYP2C9ALDH1A1GSK3A
SCHEMBL724906 0.84 CYP1A1 (0.35) CYP3A4CYP2C19CYP2C9GSK3AGSK3B
SCHEMBL722171 0.83 CYP3A4 (0.45) CYP3A4CYP2C19CYP2C9KDM4EALDH1A1
SCHEMBL10267284 0.83 MAOB (0.35) CYP3A4CYP2C19CYP2C9GSK3AGSK3B
SCHEMBL725000 0.83 MAT2A (0.36) CYP3A4CYP2C19CYP2C9SMN1; SMN2GSK3A
SCHEMBL722137 0.83 MAT2A (0.45) KDM4EPIK3CANPC1CYP2A6
SCHEMBL15216701 0.82 P4HTM (0.35) CYP3A4CYP2C19CYP2C9GSK3AGSK3B
SCHEMBL723329 0.82 MAPT (0.39) GSK3AGSK3B
SCHEMBL725071 0.81 CYP3A4 (0.37) CYP3A4CYP2C19CYP2C9GSK3AGSK3B

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 CYP3A4 2796/4885CYP2C19 2550/4885CYP2C9 1862/4885

“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.