SCHEMBL3091673

SCHEMBL3091673

CN1CCN(C2CCN(c3nc4sc(C(N)=O)c(N)c4c(-c4cc5ccccc5o4)c3C#N)CC2)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.47
IKBKB O14920 8/20 0.45
BRAF P15056 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AB1 P08238 1/20 0.35
AOC3 Q16853 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CHUK O15111 2/20 0.34
EPHA3 P29320 2/20 0.34
NTRK1 P04629 1/20 0.34
ATM Q13315 2/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3655139 0.90 EEF2K (0.36) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3088436 0.89 EEF2K (0.53) EEF2KIKBKBBRAFNPC1RAB9A
SCHEMBL3087819 0.85 EEF2K (0.55) EEF2KIKBKBBRAFNPC1RAB9A
SCHEMBL3092291 0.84 EEF2K (0.56) EEF2KIKBKBBRAFNPC1RAB9A
SCHEMBL3083801 0.83 EEF2K (0.55) EEF2KIKBKBBRAFNPC1RAB9A
SCHEMBL3089430 0.80 EEF2K (0.51) EEF2KIKBKBBRAFHSP90AB1KDM4E
SCHEMBL14312330 0.78 EEF2K (0.41) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3101766 0.76 EEF2K (0.62) EEF2KIKBKBBRAFSMN1; SMN2HSP90AB1
SCHEMBL3656598 0.74 EEF2K (0.41) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3656993 0.73 EEF2K (0.42) EEF2KIKBKBNPC1RAB9ASMN1; SMN2

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
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

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.