SCHEMBL725081

SCHEMBL725081

N#Cc1cncc(-c2ccnc3cc(-c4ccc(-c5cnn(CCO)c5)cc4)oc23)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
MET P08581 6/20 0.36
MAP4K4 O95819 1/20 0.36
NAMPT P43490 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CDK19 Q9BWU1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
IKBKE Q14164 2/20 0.33
TBK1 Q9UHD2 2/20 0.33
ABL1 P00519 1/20 0.33
USP7 Q93009 2/20 0.33
MAP4K1 Q92918 1/20 0.33
PDK2 Q15119 1/20 0.33
ROCK2 O75116 1/20 0.33
P4HTM Q9NXG6 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
SCHEMBL723333 0.86 MET (0.40) IRAK4METMAP4K4NAMPTJAK2
SCHEMBL15216719 0.86 CCNC (0.41) CCNCCDK8ROCK2P4HTM
SCHEMBL722231 0.86 MAP4K4 (0.42) METMAP4K4NAMPTCCNCCDK8
SCHEMBL723361 0.85 MET (0.42) METMAP4K4NAMPTJAK2JAK1
SCHEMBL724686 0.84 MET (0.42) METMAP4K4NAMPTIKBKETBK1
SCHEMBL723620 0.82 CYP3A4 (0.38) METMAP4K4NAMPTCCNCCDK8
SCHEMBL15216713 0.82 USP7 (0.36) MAP4K4USP7ROCK2P4HTM
SCHEMBL15216702 0.82 USP7 (0.36) MAP4K4ABL1USP7ROCK2P4HTM
SCHEMBL724193 0.81 MET (0.46) METMAP4K4NAMPTIKBKETBK1
SCHEMBL725075 0.80 MET (0.38) METMAP4K4NAMPTCCNCCDK8

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 IRAK4 13/4885MET 1482/4885MAP4K4 1964/4885

“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.