SCHEMBL3089487

SCHEMBL3089487

N#Cc1c(NCCOCCO)nc2sc(C(N)=O)c(N)c2c1-c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.50
IKBKB O14920 7/20 0.48
BRAF P15056 3/20 0.41
HSP90AB1 P08238 1/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GSK3B P49841 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
LIMK1 P53667 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ADORA1 P30542 1/20 0.34

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
SCHEMBL3088349 0.92 EEF2K (0.54) EEF2KIKBKBBRAFHSP90AB1PDE4A
SCHEMBL3101500 0.91 EEF2K (0.53) EEF2KIKBKBBRAFHSP90AB1PDE4A
SCHEMBL3648990 0.89 EEF2K (0.38) EEF2KIKBKBBRAFHSP90AB1GSK3B
SCHEMBL3076870 0.88 IKBKB (0.54) EEF2KIKBKBBRAFHSP90AB1GSK3B
SCHEMBL9976414 0.88 IKBKB (0.50) EEF2KIKBKBBRAFHSP90AB1MAPT
SCHEMBL3088406 0.87 EEF2K (0.53) EEF2KIKBKBBRAFHSP90AB1PDE4A
SCHEMBL3084095 0.87 EEF2K (0.46) EEF2KIKBKBBRAFHSP90AB1GSK3B
SCHEMBL3090651 0.87 IKBKB (0.52) EEF2KIKBKBBRAFHSP90AB1MAPT
SCHEMBL3090590 0.87 IKBKB (0.52) EEF2KIKBKBBRAFHSP90AB1GSK3B
SCHEMBL3083910 0.87 EEF2K (0.52) EEF2KIKBKBBRAFHSP90AB1PDE4A

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-2197886-B1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2012-12-26 EP claimed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US claimed
EP-2197886-B1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-8202882-B2 5-cyanothienopyridines for the treatment of tumours MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-06-19 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
US-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 US disclosed
WO-2009049743-A1 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2009-04-23 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-20100234369-A1 5-CYANOTHIENOPYRIDINES FOR THE TREATMENT OF TUMOURS TGFBR1, TGFBR2, ACVR1 EEF2K 2875/4885IKBKB 599/4885BRAF 616/4885

“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.