SCHEMBL2455501

SCHEMBL2455501

Cn1cc(-c2ccc3c(NCc4cccnc4)nc4cc[nH]c(=O)c4c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.49
JAK2 O60674 6/20 0.46
MET P08581 1/20 0.45
CLK4 Q9HAZ1 5/20 0.42
WNT1 P04628 2/20 0.42
GSK3B P49841 2/20 0.42
DYRK1A Q13627 2/20 0.42
VNN1 O95497 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
KCNH2 Q12809 1/20 0.41
ACVR1 Q04771 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2459942 0.91 CHEK1 (0.51) CHEK1JAK2METPRMT5WDR77
SCHEMBL2457742 0.91 CHEK1 (0.51) CHEK1JAK2METWNT1GSK3B
SCHEMBL2455523 0.89 CHEK1 (0.53) CHEK1JAK2METPRMT5WDR77
SCHEMBL2459782 0.87 JAK2 (0.53) JAK2CLK4KDM4EMEN1ALDH1A1
SCHEMBL2455870 0.86 JAK2 (0.51) CHEK1JAK2METPRMT5WDR77
SCHEMBL2457920 0.85 JAK2 (0.51) CHEK1JAK2KCNH2ACVR1
SCHEMBL2458025 0.85 CHEK1 (0.49) CHEK1JAK2PRMT5WDR77KCNH2
SCHEMBL2457357 0.85 JAK2 (0.66) CHEK1JAK2METWNT1GSK3B
SCHEMBL2458102 0.85 CHEK1 (0.55) CHEK1JAK2METPRMT5WDR77
SCHEMBL2460418 0.84 CHEK1 (0.48) CHEK1JAK2PRMT5WDR77ACVR1

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 CHEK1 657/4885JAK2 1/4885MET 1462/4885

“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.