SCHEMBL15216701

SCHEMBL15216701

N#Cc1cncc(-c2ccnc3cc(-c4ccc(OC(F)F)cc4)oc23)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
KCNH2 Q12809 1/20 0.34
MAP4K4 O95819 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAT2A P31153 2/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
USP7 Q93009 1/20 0.32
ABL1 P00519 2/20 0.32
GSK3A P49840 2/20 0.31
GSK3B P49841 2/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL15216702 0.85 USP7 (0.36) P4HTMCYP11B1CYP11B2MAP4K4ROCK2
SCHEMBL725000 0.85 MAT2A (0.36) KCNH2CYP3A4CYP2C9CYP2C19MAT2A
SCHEMBL724002 0.84 MAT2A (0.37) CYP3A4CYP2C9CYP2C19MAT2AROCK1
SCHEMBL725015 0.82 CYP3A4 (0.42) CYP11B1CYP11B2CYP3A4CYP2C9CYP2C19
SCHEMBL723095 0.81 MAT2A (0.34) CYP3A4CYP2C9CYP2C19MAT2AGSK3A
SCHEMBL723291 0.80 PIK3C3 (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL722901 0.79 HRH3 (0.44) KCNH2
SCHEMBL15216713 0.79 USP7 (0.36) P4HTMCYP11B1CYP11B2MAP4K4ROCK2
SCHEMBL724906 0.78 CYP1A1 (0.35) MAP4K4CYP3A4CYP2C9CYP2C19MAT2A
SCHEMBL15216709 0.78 P4HTM (0.37) P4HTMCYP11B1CYP11B2MAP4K4ROCK2

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 5 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
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-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 P4HTM 2912/4885CYP11B1 2779/4885CYP11B2 3232/4885

“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.