SCHEMBL2227330

SCHEMBL2227330

CC(C)n1cc(-c2ccnc(Nc3cc(C#N)ccc3OCc3ccccc3)n2)c2ccncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 6/20 0.49
MKNK1 Q9BUB5 4/20 0.49
CDK2 P24941 6/20 0.40
DYRK1A Q13627 4/20 0.40
DYRK1B Q9Y463 2/20 0.40
DYRK3 O43781 1/20 0.40
IGF1R P08069 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
EGFR P00533 2/20 0.39
GSK3B P49841 5/20 0.38
CDK4 P11802 2/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
CCNA2 P20248 2/20 0.37

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
SCHEMBL2229696 0.88 MKNK2 (0.56) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2227743 0.86 EGFR (0.46) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2227570 0.85 MKNK1 (0.49) MKNK2MKNK1CDK2EGFRGSK3B
SCHEMBL2229446 0.84 MKNK1 (0.47) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2227335 0.83 MKNK1 (0.47) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2226539 0.83 MKNK1 (0.47) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2227524 0.81 MKNK2 (0.49) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2228031 0.80 GSK3B (0.57) MKNK2MKNK1CDK2DYRK1AGSK3B
SCHEMBL2229723 0.80 MKNK2 (0.54) MKNK2MKNK1CDK2DYRK1ADYRK1B
SCHEMBL2228389 0.80 MKNK1 (0.46) MKNK2MKNK1CDK2DYRK1ADYRK1B

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 3 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

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 332/4885CDK2 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.