SCHEMBL2229980

SCHEMBL2229980

Cc1cc(S(N)(=O)=O)ccc1Nc1nccc(-c2cn(C(C)C)c3cnccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CDK2 P24941 8/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CDK5 Q00535 2/20 0.43
CDK5R1 Q15078 2/20 0.43
DYRK3 O43781 1/20 0.43
IGF1R P08069 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
PIK3CD O00329 1/20 0.42
AURKA O14965 1/20 0.42
PIK3C2G O75747 1/20 0.42
PIK3CG P48736 1/20 0.42
AURKB Q96GD4 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL2230801 0.91 MKNK1 (0.47) MKNK1MKNK2CDK2DYRK1ADYRK1B
SCHEMBL2229140 0.87 CCNT1 (0.54) CDK2CDK5CDK5R1IGF1RGSK3B
SCHEMBL2228483 0.86 SLC2A1 (0.58) CDK2DYRK1BCDK5CLK4AURKA
SCHEMBL2230113 0.84 MKNK1 (0.50) MKNK1MKNK2CDK2DYRK1ADYRK1B
SCHEMBL2228300 0.84 MTOR (0.47) MKNK1MKNK2CDK2DYRK1ACDK5
SCHEMBL2229746 0.82 MKNK2 (0.55) MKNK1MKNK2CDK2DYRK1ADYRK1B
SCHEMBL2227213 0.81 CDK2 (0.56) MKNK1MKNK2CDK2DYRK1ADYRK1B
SCHEMBL2227980 0.79 CAMKK2 (0.49) MKNK1MKNK2CDK2GSK3BCDK4
SCHEMBL2228613 0.79 CDK2 (0.53) MKNK1MKNK2CDK2DYRK1ADYRK1B
SCHEMBL2228203 0.78 MKNK1 (0.47) MKNK1MKNK2CDK2DYRK1ADYRK1B

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 MKNK1 332/4885MKNK2 181/4885CDK2 381/4885

“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.