SCHEMBL2460418

SCHEMBL2460418

Cn1cc(-c2ccc3c(NCc4ccc(C#N)cc4)nc4cc[nH]c(=O)c4c3c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
JAK2 O60674 6/20 0.43
HAT1 O14929 3/20 0.42
EP300 Q09472 3/20 0.42
FLT3 P36888 2/20 0.42
CREBBP Q92793 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
ACVR1 Q04771 1/20 0.41
CSNK1A1 P48729 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1G2 P78368 1/20 0.40
ALK Q9UM73 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
CDC7 O00311 1/20 0.39

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 0.89 CHEK1 (0.51) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2455523 0.89 CHEK1 (0.53) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2457742 0.88 CHEK1 (0.51) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2458102 0.86 CHEK1 (0.55) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2457914 0.84 CHEK1 (0.51) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2455501 0.84 CHEK1 (0.49) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2458025 0.84 CHEK1 (0.49) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL12333440 0.82 CHEK1 (0.46) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL12333677 0.82 CHEK1 (0.62) CHEK1JAK2PRMT5WDR77ACVR1
SCHEMBL2458398 0.81 CHEK1 (0.49) 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 15 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
EP-2134346-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck & Co., Inc. (US) 2009-12-23 EP claimed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO 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
EP-2134346-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 Merck & Co., Inc. (US) 2009-12-23 EP 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
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 1/4885HAT1 2042/4885

“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.