SCHEMBL3089418

SCHEMBL3089418

CN1CCN(CCCCNc2nc3sc(C(N)=O)c(N)c3c(-c3cc4ccccc4o3)c2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.48
IKBKB O14920 2/20 0.46
DRD3 P35462 7/20 0.40
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 5/20 0.39
HTR2A P28223 5/20 0.39
HTR2C P28335 4/20 0.39
BRAF P15056 2/20 0.38
HSP90AB1 P08238 1/20 0.38
DRD2 P14416 6/20 0.37
MMP13 P45452 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
SCHEMBL3088904 0.99 EEF2K (0.48) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3092241 0.98 EEF2K (0.49) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3078789 0.95 EEF2K (0.50) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3086859 0.91 EEF2K (0.53) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3094601 0.91 EEF2K (0.49) EEF2KIKBKBBRAFHSP90AB1MMP13
SCHEMBL13885046 0.91 EEF2K (0.51) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL14312284 0.90 HRH3 (0.39) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3655403 0.89 HRH3 (0.39) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3654437 0.88 HRH3 (0.40) EEF2KIKBKBDRD3KCNH2HRH3
SCHEMBL3090590 0.87 IKBKB (0.52) EEF2KIKBKBBRAFHSP90AB1

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 7 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 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

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 599/4885DRD3 3503/4885

“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.