SCHEMBL3089430

SCHEMBL3089430

CCS(=O)(=O)N1CCN(c2nc3sc(C(N)=O)c(N)c3c(-c3cc4ccccc4o3)c2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 4/20 0.51
IKBKB O14920 5/20 0.49
HSP90AB1 P08238 1/20 0.41
BRAF P15056 2/20 0.40
KMT2A Q03164 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RCE1 Q9Y256 1/20 0.36
LIMK1 P53667 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
SCHEMBL3087819 0.90 EEF2K (0.55) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL14312146 0.90 EEF2K (0.40) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3092291 0.87 EEF2K (0.56) EEF2KIKBKBHSP90AB1BRAFMAPT
SCHEMBL3081937 0.87 EEF2K (0.51) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3088342 0.86 ALDH1A1 (0.51) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3088436 0.83 EEF2K (0.53) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3083801 0.83 EEF2K (0.55) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3091673 0.80 EEF2K (0.47) EEF2KIKBKBHSP90AB1BRAFMAPT
SCHEMBL3101766 0.80 EEF2K (0.62) EEF2KIKBKBHSP90AB1BRAFKMT2A
SCHEMBL3656598 0.80 EEF2K (0.41) EEF2KIKBKBKMT2AMEN1NPSR1

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 9 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
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 599/4885HSP90AB1 1045/4885

“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.