SCHEMBL2455753

SCHEMBL2455753

CC(C)c1nc2cc[nH]c(=O)c2c2cc(C(=O)N3CCS(O)(O)CC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
TYK2 P29597 1/20 0.39
JAK2 O60674 9/20 0.39
KCNH2 Q12809 1/20 0.36
TSHR P16473 1/20 0.36
MGLL Q99685 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
GHSR Q92847 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
LRRK2 Q5S007 1/20 0.34
LMNA P02545 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL2455755 0.92 HPGD (0.39) HPGDTYK2JAK2KCNH2TSHR
SCHEMBL2455658 0.87 HSP90AA1 (0.48) HPGDTYK2JAK2HSP90AA1HSP90AB1
SCHEMBL2461720 0.80 TYK2 (0.55) HPGDTYK2JAK2KCNH2
SCHEMBL2457825 0.79 CHEK1 (0.49) TYK2JAK2KCNH2
SCHEMBL2458440 0.78 TYK2 (0.45) TYK2JAK2KCNH2TLR8TLR7
SCHEMBL2457835 0.77 TYK2 (0.44) TYK2JAK2KCNH2
SCHEMBL2455831 0.75 TYK2 (0.42) TYK2JAK2KCNH2
SCHEMBL2458089 0.72 JAK2 (0.68) TYK2JAK2KCNH2LRRK2
SCHEMBL2460761 0.72 JAK2 (0.49) JAK2KCNH2
SCHEMBL2458073 0.71 JAK2 (0.44) HPGDJAK2KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP claimed
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 US claimed
US-8329722-B2 Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2012-12-11 US disclosed
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP disclosed
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 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-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 JAK2, PDK1, JAK1 HPGD 2252/4885TYK2 92/4885JAK2 1/4885

“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.