SCHEMBL3076870

SCHEMBL3076870

CNCCNc1nc2sc(C(N)=O)c(N)c2c(-c2cc3ccccc3o2)c1C#N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.54
EEF2K O00418 4/20 0.53
BRAF P15056 2/20 0.43
HSP90AB1 P08238 1/20 0.43
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
LIMK1 P53667 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 1/20 0.37
GSK3B P49841 1/20 0.36

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
SCHEMBL3090590 0.95 IKBKB (0.52) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3088406 0.93 EEF2K (0.53) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3088349 0.92 EEF2K (0.54) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3083910 0.92 EEF2K (0.52) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3090651 0.92 IKBKB (0.52) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3101500 0.91 EEF2K (0.53) IKBKBEEF2KBRAFHSP90AB1ALDH1A1
SCHEMBL9976414 0.90 IKBKB (0.50) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3095971 0.88 EEF2K (0.49) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3089487 0.88 EEF2K (0.50) IKBKBEEF2KBRAFHSP90AB1MAPT
SCHEMBL3651201 0.88 EEF2K (0.40) IKBKBEEF2KBRAFHSP90AB1MAPT

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 8 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-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 IKBKB 599/4885EEF2K 2875/4885BRAF 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.