SCHEMBL723668

SCHEMBL723668

COc1cc(-c2cc3nccc(-c4cnn(Cc5ccccc5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.41
CREBBP Q92793 9/20 0.41
PDE4C Q08493 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALK Q9UM73 1/20 0.38
POLQ O75417 1/20 0.38
BRD4 O60885 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL721506 0.85 PDE4C (0.39) PDE4CBRD4PTGESALOX5
SCHEMBL10266954 0.85 PDE4C (0.42) PDE4CBRD4
SCHEMBL725161 0.85 PDE4C (0.42) PDE4CBRD4PTGESALOX5
SCHEMBL724285 0.84 ALK (0.52) CREBBPL3MBTL1ALKKCNH2
SCHEMBL724725 0.83 PRKAB2 (0.42) PDE4CPTGESALOX5
SCHEMBL722228 0.82 PDE4C (0.43) PDE4CBRD4
SCHEMBL723546 0.82 JAK2 (0.44) PDE4CGRM4
SCHEMBL722258 0.82 JAK2 (0.39) PDE4CBRD4
SCHEMBL722839 0.82 PDE4C (0.51) PDE4CBRD4PTGESALOX5
SCHEMBL722160 0.80 PDE4C (0.36) PDE4C

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 10 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
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 PGK1 3597/4885CREBBP 3415/4885PDE4C 2858/4885

“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.