SCHEMBL724906

SCHEMBL724906

Nc1ccc(-c2ccnc3cc(-c4ccc(OC(F)F)cc4)oc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAP4K4 O95819 1/20 0.34
GRM2 Q14416 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAT2A P31153 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
BMPR1B O00238 1/20 0.33
ACVR1B P36896 1/20 0.33
ACVRL1 P37023 1/20 0.33
ACVR1 Q04771 1/20 0.33
FEN1 P39748 2/20 0.33
LTA4H P09960 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TRPC6 Q9Y210 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
SCHEMBL723095 0.88 MAT2A (0.34) GRM2MAT2ACYP3A4CYP2C9CYP2C19
SCHEMBL722137 0.85 MAT2A (0.45) MAT2APDE10ATDO2
SCHEMBL725000 0.85 MAT2A (0.36) GRM2MAT2ACYP3A4CYP2C9CYP2C19
SCHEMBL10267284 0.85 MAOB (0.35) MAP4K4GRM2MAT2ACYP3A4CYP2C9
SCHEMBL725015 0.84 CYP3A4 (0.42) CYP1A2GRM2CYP3A4CYP2C9CYP2C19
SCHEMBL724002 0.84 MAT2A (0.37) CYP1A2GRM2ROCK1MAT2ACYP3A4
SCHEMBL723329 0.84 MAPT (0.39) MAT2AGSK3AGSK3BBMPR1BACVR1B
SCHEMBL723867 0.83 PRKAB2 (0.36) CYP1A1CYP1A2CYP1B1MAP4K4CYP2C9
SCHEMBL725071 0.81 CYP3A4 (0.37) CYP1A2MAT2ACYP3A4CYP2C9CYP2C19
SCHEMBL724789 0.80 MET (0.40) MAP4K4ROCK1MAT2AGSK3AGSK3B

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 13 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
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
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 CYP1A1 452/4885CYP1A2 908/4885CYP1B1 915/4885

“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.