SCHEMBL2229361

SCHEMBL2229361

COc1ccccc1Nc1nccc(-c2cn(C(C)C)c3cnccc23)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 8/20 0.67
MKNK1 Q9BUB5 4/20 0.67
DYRK1A Q13627 3/20 0.56
IGF1R P08069 2/20 0.54
CDK2 P24941 2/20 0.54
DYRK1B Q9Y463 2/20 0.54
DYRK3 O43781 1/20 0.54
CLK1 P49759 1/20 0.54
CLK2 P49760 1/20 0.54
CDK5 Q00535 1/20 0.54
CDK5R1 Q15078 1/20 0.54
DYRK2 Q92630 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK4 Q9NR20 1/20 0.54
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
EGFR P00533 2/20 0.47
MAPK8 P45983 4/20 0.46

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
SCHEMBL2227361 0.89 MKNK2 (0.56) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2227891 0.89 MKNK2 (0.58) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2228224 0.88 MKNK2 (0.59) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2227665 0.88 MKNK2 (0.69) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2229746 0.87 MKNK2 (0.55) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL12445037 0.87 MKNK2 (0.58) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2227715 0.87 MKNK2 (0.58) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2229730 0.87 MKNK2 (0.65) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2227649 0.86 MKNK2 (0.54) MKNK2MKNK1DYRK1AIGF1RCDK2
SCHEMBL2229744 0.86 MKNK1 (0.54) MKNK2MKNK1DYRK1AIGF1RCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 MKNK2 181/4885MKNK1 332/4885DYRK1A 1517/4885

“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.