SCHEMBL2458440

SCHEMBL2458440

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.45
JAK2 O60674 12/20 0.45
KCNH2 Q12809 2/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ZAP70 P43403 1/20 0.40
MAPT P10636 1/20 0.40
PDE9A O76083 1/20 0.38
TTK P33981 1/20 0.38
CHEK1 O14757 2/20 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
SCHEMBL2461720 0.88 TYK2 (0.55) TYK2JAK2KCNH2CHEK1
SCHEMBL2457825 0.87 CHEK1 (0.49) TYK2JAK2KCNH2CHEK1
SCHEMBL2455831 0.87 TYK2 (0.42) TYK2JAK2KCNH2CHEK1
SCHEMBL2457835 0.82 TYK2 (0.44) TYK2JAK2KCNH2CHEK1
SCHEMBL2458089 0.79 JAK2 (0.68) TYK2JAK2KCNH2CHEK1
SCHEMBL2460761 0.79 JAK2 (0.49) JAK2KCNH2CHEK1
SCHEMBL2455658 0.79 HSP90AA1 (0.48) TYK2JAK2
SCHEMBL2455753 0.78 HPGD (0.39) TYK2JAK2KCNH2TLR8TLR7
SCHEMBL2455755 0.78 HPGD (0.39) TYK2JAK2KCNH2TLR8TLR7
SCHEMBL2461717 0.77 JAK2 (0.45) TYK2JAK2KCNH2CHEK1

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 11 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
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
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
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
US-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME LLC 2010-06-24 US 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
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 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-20100160309-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 JAK2, PDK1, JAK1 TYK2 92/4885JAK2 1/4885KCNH2 2002/4885

“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.