SCHEMBL4864158

SCHEMBL4864158

COC(=O)c1sccc1NC(=O)CC#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.61
MAPK10 P53779 4/20 0.61
MAPK9 P45984 3/20 0.61
POLB P06746 2/20 0.60
HTT P42858 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 2/20 0.59
LMNA P02545 1/20 0.59
CASP3 P42574 1/20 0.59
ATM Q13315 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL5294918 0.82 MAPK8 (0.68) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL7933290 0.81 MAPK8 (0.66) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL16760967 0.81 MAPK8 (0.66) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL4749588 0.81 SMN1; SMN2 (0.67) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL28722481 0.81 MAPK8 (0.66) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL31469807 0.79 KDM4E (0.61) MAPK10POLBHTTSMN1; SMN2KMT2A
SCHEMBL5106577 0.79 KMT2A (0.66) MAPK8MAPK10MAPK9HTTSMN1; SMN2
SCHEMBL15703691 0.79 ALDH1A1 (0.62) MAPK8MAPK10MAPK9POLBRXFP1
SCHEMBL15703690 0.79 ALDH1A1 (0.62) MAPK8MAPK10MAPK9POLBRXFP1
SCHEMBL4787145 0.78 KMT2A (0.64) MAPK8MAPK10MAPK9HTTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996553-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2008-12-03 EP disclosed
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2008-06-12 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
US-7365200-B2 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS (US) 2008-04-29 US disclosed
EP-1861407-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-12-05 EP disclosed
WO-2007109251-A2 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-09-27 WO disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2007-08-02 US disclosed
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors AVANIR PHARMACEUTICALS 2006-10-12 US disclosed
WO-2006102191-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS AVANIR PHARMACEUTICALS (US) 2006-09-28 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 (3 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-20070179149-A1 THIENOPYRIDINONE DERIVATIVES AS MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS MIF, MMP12, MSR1 MAPK8 2352/4885MAPK10 3177/4885MAPK9 2247/4885
US-20080139551-A1 TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES TNF, TNFRSF1A, TNFRSF9 MAPK8 4011/4885MAPK10 3867/4885MAPK9 4598/4885
US-20060229314-A1 Thienopyridinone derivatives as macrophage migration inhibitory factor inhibitors MIF, MMP12, MSR1 MAPK8 2352/4885MAPK10 3177/4885MAPK9 2247/4885

“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.