SCHEMBL725071

SCHEMBL725071

FC(F)Oc1ccc(-c2cc3nccc(-c4cncs4)c3o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
GSK3B P49841 4/20 0.36
GSK3A P49840 3/20 0.36
MAT2A P31153 1/20 0.33
CD38 P28907 1/20 0.31
DYRK1A Q13627 2/20 0.31
BMPR1B O00238 1/20 0.31
ACVR1B P36896 1/20 0.31
ACVRL1 P37023 1/20 0.31
ACVR1 Q04771 1/20 0.31
WNT1 P04628 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL724002 0.83 MAT2A (0.37) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL722187 0.83 CD38 (0.34) CYP3A4CYP2C9CYP2C19CD38CYP1A2
SCHEMBL724906 0.81 CYP1A1 (0.35) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL725015 0.81 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL723095 0.80 MAT2A (0.34) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL722137 0.77 MAT2A (0.45) MAT2A
SCHEMBL725000 0.77 MAT2A (0.36) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL10267284 0.77 MAOB (0.35) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL15216701 0.77 P4HTM (0.35) CYP3A4CYP2C9CYP2C19GSK3BGSK3A
SCHEMBL723564 0.77 LTA4H (0.51) BMPR1BACVR1BACVRL1ACVR1

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 2796/4885CYP2C9 1862/4885CYP2C19 2550/4885

“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.