SCHEMBL723561

SCHEMBL723561

CS(=O)(=O)c1cncc(-c2ccnc3cc(-c4ccc(OCCN5CCCC5)cc4)oc23)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
JAK2 O60674 4/20 0.42
JAK3 P52333 4/20 0.42
PTK2 Q05397 3/20 0.42
HRH3 Q9Y5N1 5/20 0.42
KCNH2 Q12809 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
LTA4H P09960 2/20 0.41
MCHR1 Q99705 1/20 0.40
BRAF P15056 1/20 0.39
BMP4 P12644 2/20 0.39

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
SCHEMBL15216703 0.87 PIK3C3 (0.38)
SCHEMBL723601 0.85 HRH3 (0.48) HRH3KCNH2BCHEACHELTA4H
SCHEMBL722901 0.83 HRH3 (0.44) ESR1ESR2HRH3KCNH2BCHE
SCHEMBL725108 0.83 KDR (0.54) ESR1ESR2JAK3HRH3KCNH2
SCHEMBL722107 0.81 GRM4 (0.51) HRH3KCNH2BCHEACHELTA4H
SCHEMBL723517 0.80 LTA4H (0.46) ESR1ESR2HRH3KCNH2BCHE
SCHEMBL723328 0.80 BCHE (0.47) ESR1HRH3KCNH2BCHEACHE
SCHEMBL724818 0.79 PRKAB2 (0.47) ESR1ESR2HRH3KCNH2BCHE
SCHEMBL723291 0.79 PIK3C3 (0.36)
SCHEMBL725211 0.79 CCNC (0.40) KCNH2

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 ESR1 1624/4885ESR2 1219/4885JAK2 14/4885

“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.