SCHEMBL3101766

SCHEMBL3101766

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.62
BRAF P15056 2/20 0.60
IKBKB O14920 3/20 0.60
HSP90AB1 P08238 1/20 0.54
GSK3B P49841 4/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.46
USP2 O75604 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LIMK1 P53667 1/20 0.42
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
HTT P42858 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL3078736 0.87 BRAF (0.57) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3657555 0.85 EEF2K (0.46) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3088349 0.85 EEF2K (0.54) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3076870 0.84 IKBKB (0.54) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3092291 0.84 EEF2K (0.56) EEF2KBRAFIKBKBHSP90AB1ALDH1A1
SCHEMBL3088406 0.83 EEF2K (0.53) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3101500 0.83 EEF2K (0.53) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3087819 0.83 EEF2K (0.55) EEF2KBRAFIKBKBHSP90AB1MEN1
SCHEMBL3090590 0.83 IKBKB (0.52) EEF2KBRAFIKBKBHSP90AB1GSK3B
SCHEMBL3083910 0.83 EEF2K (0.52) EEF2KBRAFIKBKBHSP90AB1GSK3B

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 2875/4885BRAF 616/4885IKBKB 599/4885

“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.