SCHEMBL2456504

SCHEMBL2456504

CCc1nc2cc[nH]c(=O)c2c2cc(-c3cnn(C)c3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.59
PRMT5 O14744 4/20 0.51
WDR77 Q9BQA1 4/20 0.51
ACVR1 Q04771 1/20 0.51
MET P08581 2/20 0.44
MAPK1 P28482 1/20 0.43
AURKA O14965 1/20 0.42
TTK P33981 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
BRD4 O60885 3/20 0.42
JAK2 O60674 3/20 0.41
GPR39 O43194 1/20 0.40
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL2458102 0.85 CHEK1 (0.55) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2458886 0.84 CHEK1 (0.56) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2455523 0.81 CHEK1 (0.53) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL12333677 0.81 CHEK1 (0.62) CHEK1PRMT5WDR77ACVR1JAK2
SCHEMBL2458312 0.81 JAK2 (0.63) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2457797 0.80 CHEK1 (0.52) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2456456 0.80 CHEK1 (0.52) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2460347 0.80 CHEK1 (0.54) CHEK1PRMT5WDR77ACVR1JAK2
SCHEMBL2459942 0.80 CHEK1 (0.51) CHEK1PRMT5WDR77ACVR1MET
SCHEMBL2458306 0.80 CHEK1 (0.51) CHEK1PRMT5WDR77ACVR1MET

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 10 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
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 657/4885PRMT5 790/4885WDR77 1901/4885

“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.