SCHEMBL3083801

SCHEMBL3083801

N#Cc1c(N2CCC(O)C2)nc2sc(C(N)=O)c(N)c2c1-c1cc2ccccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 3/20 0.55
IKBKB O14920 9/20 0.49
CHUK O15111 2/20 0.41
NTRK1 P04629 1/20 0.41
EPHA3 P29320 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRAF P15056 2/20 0.41
HSP90AB1 P08238 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAPT P10636 3/20 0.37
USP2 O75604 1/20 0.37
PTK2B Q14289 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3655914 0.89 EEF2K (0.42) EEF2KIKBKBCHUKNPC1RAB9A
SCHEMBL3088436 0.88 EEF2K (0.53) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3092291 0.87 EEF2K (0.56) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3087819 0.86 EEF2K (0.55) EEF2KIKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3096017 0.85 NPC1 (0.42) EEF2KCHUKNPC1RAB9ASMN1; SMN2
SCHEMBL3089430 0.83 EEF2K (0.51) EEF2KIKBKBCHUKEPHA3BRAF
SCHEMBL3091673 0.83 EEF2K (0.47) EEF2KIKBKBCHUKNTRK1EPHA3
SCHEMBL3101766 0.81 EEF2K (0.62) EEF2KIKBKBSMN1; SMN2BRAFHSP90AB1
SCHEMBL3092018 0.78 EEF2K (0.55) EEF2KIKBKBBRAFHSP90AB1HTT
SCHEMBL14312330 0.77 EEF2K (0.41) 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
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 599/4885CHUK 362/4885

“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.