SCHEMBL723287

SCHEMBL723287

CC(C)(O)c1ccc(-c2cc3nccc(Cl)c3o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
TNKS O95271 5/20 0.35
PARP1 P09874 5/20 0.35
TNKS2 Q9H2K2 5/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
TNF P01375 1/20 0.33
SYK P43405 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
JAK2 O60674 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
SCHEMBL10266941 0.88 AKT1 (0.36) ESR1ESR2CDK1AKT1KDR
SCHEMBL27264184 0.86 S1PR1 (0.32) ESR1ESR2CDK1GSK3AGSK3B
SCHEMBL723683 0.85 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL724153 0.83 MTOR (0.33) ESR1ESR2SYKJAK2TYK2
SCHEMBL721875 0.81 CSNK2A2 (0.40) TNKSPARP1TNKS2ESR1ESR2
SCHEMBL724007 0.79 MAPK14 (0.43) TNKSPARP1TNKS2ESR1ESR2
SCHEMBL30765288 0.78 MAPT (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL722060 0.78 CYP1A1 (0.47) TNKS
SCHEMBL725006 0.78 EGFR (0.46) CDK1GSK3AGSK3BGABRA1
SCHEMBL27264072 0.78 KDM4E (0.39) ESR1ESR2SYKGSK3BMAPK12

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 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
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
EP-2609100-A2 FUROPYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2013-07-03 EP disclosed
CN-103052640-A Furopyridine derivatives MERCK PATENT GMBH 2013-04-17 CN disclosed
WO-2012025187-A2 FUROPYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-03-01 WO 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 PRKAB2 1832/4885PRKAG1 1499/4885PRKAA2 2114/4885

“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.