SCHEMBL2226832

SCHEMBL2226832

CC(C)n1cc(/C=C/C(=O)N(C)C)c2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
NFATC1 O95644 1/20 0.47
GSK3B P49841 1/20 0.47
CCNC P24863 2/20 0.43
CDK8 P49336 2/20 0.43
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
RAB9A P51151 2/20 0.34
MITF O75030 1/20 0.34
USP2 O75604 1/20 0.34
NTRK1 P04629 5/20 0.33
CA9 Q16790 4/20 0.33
CA2 P00918 3/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
MAP3K7 O43318 1/20 0.32
TAB1 Q15750 1/20 0.32
IP6K1 Q92551 1/20 0.32
IP6K2 Q9UHH9 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL2227346 0.77 MAP3K7 (0.34) CCNCCDK8MEN1KMT2ANTRK1
SCHEMBL12444936 0.73 NFATC1 (0.47) DYRK1ANFATC1GSK3BRAB9ANTRK1
SCHEMBL2226838 0.73 NFATC1 (0.47) DYRK1ANFATC1GSK3BRAB9ANTRK1
SCHEMBL2227996 0.71 NFATC1 (0.56) DYRK1ANFATC1GSK3BNTRK1
SCHEMBL6363702 0.70 CCNC (0.55) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL16827890 0.70 CCNC (0.55) CCNCCDK8MEN1KMT2ARAB9A
SCHEMBL12889390 0.68 DYRK1A (0.64) DYRK1ANFATC1GSK3BUSP2NTRK1
SCHEMBL21917358 0.67 DYRK1A (0.62) DYRK1ANFATC1GSK3BUSP2NTRK1
SCHEMBL21917172 0.67 DYRK1A (0.62) DYRK1ANFATC1GSK3BUSP2NTRK1
SCHEMBL12874842 0.67 DYRK1A (0.62) DYRK1ANFATC1GSK3BUSP2NTRK1

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 1 patent. 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

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 DYRK1A 1517/4885NFATC1 547/4885GSK3B 2618/4885

“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.