SCHEMBL2228958

SCHEMBL2228958

CC(C)n1cc(-c2ccnc(Nc3cccc(N4CCN(C)CC4)c3)n2)c2ccncc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.64
▸ FLT3 P36888 7/20 0.64
▸ CCNE1 P24864 3/20 0.64
▸ CDK1 P06493 3/20 0.59
▸ CCNB1 P14635 3/20 0.59
▸ CDK7 P50613 2/20 0.59
▸ CCNH P51946 2/20 0.59
▸ MNAT1 P51948 2/20 0.59
▸ IGF1R P08069 3/20 0.58
▸ DYRK1B Q9Y463 3/20 0.58
▸ CLK2 P49760 2/20 0.58
▸ CLK4 Q9HAZ1 2/20 0.58
▸ DYRK3 O43781 1/20 0.58
▸ CLK1 P49759 1/20 0.58
▸ CDK5 Q00535 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ CDK5R1 Q15078 1/20 0.58
▸ DYRK2 Q92630 1/20 0.58
▸ DYRK4 Q9NR20 1/20 0.58
▸ EGFR P00533 2/20 0.49

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
SCHEMBL2227986 0.91 CCNT1 (0.54) CDK2FLT3CCNE1CDK1CCNB1
SCHEMBL2227077 0.86 JAK2 (0.55) CDK2FLT3CCNE1CDK1CCNB1
SCHEMBL13425095 0.85 ABL1 (0.55) CDK2FLT3CCNE1IGF1RDYRK1B
SCHEMBL2227344 0.84 DYRK1A (0.57) CDK2CDK1CCNB1DYRK1AGSK3B
SCHEMBL2226903 0.83 ABL1 (0.53) CDK2DYRK1AGSK3BCDK4CDK9
SCHEMBL2227731 0.83 MKNK1 (0.51) CDK2FLT3CCNE1CDK1CCNB1
SCHEMBL2229592 0.83 MKNK1 (0.49) CDK2FLT3CCNE1CDK1CCNB1
SCHEMBL2226553 0.83 MKNK1 (0.49) CDK2FLT3CCNE1IGF1RDYRK1B
SCHEMBL2227770 0.82 GSK3B (0.53) CDK2FLT3CCNE1CDK1CCNB1
SCHEMBL2227684 0.82 CDK2 (0.52) CDK2FLT3CDK1CCNB1IGF1R

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 CDK2 381/4885FLT3 925/4885CCNE1 582/4885

“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.

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