SCHEMBL3094601

SCHEMBL3094601

N#Cc1c(NCCCN2CCOCC2)nc2sc(C(N)=O)c(N)c2c1-c1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.49
IKBKB O14920 2/20 0.45
KDM4E B2RXH2 10/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 5/20 0.43
MMP13 P45452 1/20 0.42
TSHR P16473 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 4/20 0.38
POLB P06746 1/20 0.38
BRAF P15056 2/20 0.38
GLA P06280 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL3086859 0.94 EEF2K (0.53) EEF2KIKBKBKDM4EBRAFHSP90AB1
SCHEMBL3092241 0.93 EEF2K (0.49) EEF2KIKBKBKDM4EALDH1A1HPGD
SCHEMBL3089418 0.91 EEF2K (0.48) EEF2KIKBKBMMP13BRAFHSP90AB1
SCHEMBL3088904 0.90 EEF2K (0.48) EEF2KIKBKBMMP13BRAFHSP90AB1
SCHEMBL3656989 0.90 KDM4E (0.41) EEF2KKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3078789 0.88 EEF2K (0.50) EEF2KIKBKBALDH1A1HPGDMAPT
SCHEMBL3088406 0.87 EEF2K (0.53) EEF2KIKBKBALDH1A1HSD17B10MAPT
SCHEMBL3101500 0.87 EEF2K (0.53) EEF2KIKBKBKDM4EALDH1A1BRAF
SCHEMBL3083910 0.86 EEF2K (0.52) EEF2KIKBKBALDH1A1HSD17B10MAPT
SCHEMBL3090590 0.86 IKBKB (0.52) EEF2KIKBKBALDH1A1HPGDMAPT

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 EEF2K 2875/4885IKBKB 599/4885KDM4E 2714/4885

“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.