SCHEMBL2227684

SCHEMBL2227684

CC(C)n1cc(-c2ccnc(Nc3ccc(N4CCCC4)cc3)n2)c2ccncc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 5/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCNA2 P20248 1/20 0.52
▸ CCNA1 P78396 1/20 0.52
▸ ACVR1 Q04771 5/20 0.51
▸ FLT3 P36888 3/20 0.51
▸ DYRK1A Q13627 2/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ CLK1 P49759 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ DYRK2 Q92630 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ DYRK4 Q9NR20 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ JAK2 O60674 1/20 0.48
▸ GSK3B P49841 3/20 0.48

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
SCHEMBL12444986 0.93 CDK2 (0.58) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL12444954 0.86 GSK3B (0.51) CDK2CDK1CCNB1FLT3DYRK1A
SCHEMBL2229836 0.86 GSK3B (0.51) CDK2CDK1CCNB1FLT3DYRK1A
SCHEMBL13425118 0.85 GSK3B (0.50) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL2227733 0.85 GSK3B (0.50) CDK2DYRK1ADYRK3IGF1RCLK1
SCHEMBL2228372 0.85 GSK3B (0.50) CDK2CCNA2FLT3DYRK1ADYRK3
SCHEMBL2230142 0.85 CDK2 (0.53) CDK2DYRK1ADYRK3IGF1RCLK1
SCHEMBL2227770 0.85 GSK3B (0.53) CDK2CDK1CCNB1FLT3DYRK1A
SCHEMBL2227042 0.83 GSK3B (0.48) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL2229903 0.83 CDK2 (0.55) CDK2CDK1DYRK1ADYRK3IGF1R

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 381/4885CDK1 344/4885CCNB1 809/4885

“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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