SCHEMBL724153

SCHEMBL724153

CC(C)(C#N)c1ccc(-c2cc3nccc(Cl)c3o2)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.33
JAK2 O60674 2/20 0.32
ROCK2 O75116 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
ROCK1 Q13464 1/20 0.32
SYK P43405 2/20 0.32
PDE10A Q9Y233 1/20 0.32
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
PIK3CA P42336 1/20 0.31
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30
CYP19A1 P11511 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL721756 0.86 MTOR (0.40) MTORJAK2ROCK2PRKCQPRKCD
SCHEMBL10266941 0.84 AKT1 (0.36) ESR1ESR2
SCHEMBL723287 0.83 PRKAB2 (0.36) JAK2ROCK1SYKPDE10ATYK2
SCHEMBL721875 0.78 CSNK2A2 (0.40) ESR1ESR2
SCHEMBL724007 0.76 MAPK14 (0.43) ESR1ESR2
SCHEMBL722060 0.75 CYP1A1 (0.47) CYP19A1
SCHEMBL725006 0.75 EGFR (0.46) PIK3CA
SCHEMBL30765288 0.73 MAPT (0.39) ESR1ESR2
SCHEMBL723046 0.73 CSNK2A2 (0.36)
SCHEMBL723248 0.72 RECQL (0.39) ESR1ESR2

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 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

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 MTOR 2383/4885JAK2 14/4885ROCK2 333/4885

“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.