SCHEMBL722186

SCHEMBL722186

N#Cc1ccc(-c2ccnc3cc(-c4ccc(OCCO)cc4)oc23)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.36
PDE10A Q9Y233 1/20 0.36
VHL P40337 1/20 0.36
PRKAA1 Q13131 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
TNF P01375 1/20 0.33
ADORA1 P30542 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
PHKG2 P15735 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MARK3 P27448 1/20 0.33
FLT3 P36888 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MELK Q14680 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
SCHEMBL722906 0.87 GRM2 (0.36) CHEK1PDE10AVHLTNFKCNH2
SCHEMBL15216702 0.86 USP7 (0.36) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL723411 0.86 MCHR1 (0.46) CHEK1PRKAA1MAP4K4RETPHKG2
SCHEMBL723926 0.85 CA12 (0.34) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL723867 0.84 PRKAB2 (0.36) PDE10APRKAA1PRKAB2PRKAG1PRKAA2
SCHEMBL725000 0.84 MAT2A (0.36) PDE10AVHLTNFADORA1KCNH2
SCHEMBL721951 0.83 CYP2D6 (0.34) PRKAA1PRKAB2PRKAG1PRKAA2PRKAG3
SCHEMBL723260 0.83 TLR8 (0.39) RETRPS6KA3
SCHEMBL722171 0.82 CYP3A4 (0.45)
SCHEMBL723496 0.82 SYK (0.38) PRKAB1AURKBKCNH2

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 CHEK1 1743/4885PDE10A 4105/4885VHL 4521/4885

“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.