SCHEMBL12435884

SCHEMBL12435884

COc1cnc2[nH]c3cnc(-c4cnn(CCCCNC(=O)OC(C)(C)C)c4)cc3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.38
PIM1 P11309 2/20 0.38
PDPK1 O15530 1/20 0.38
CCNB2 O95067 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CCNA1 P78396 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
CHEK1 O14757 1/20 0.37
ACHE P22303 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
DRD2 P14416 3/20 0.35
MTNR1A P48039 1/20 0.35

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
SCHEMBL12435877 0.99 DYRK1A (0.38) DYRK1APIM1PDPK1CCNB2PRKCB
SCHEMBL1561074 0.88 PIM1 (0.39) PIM1CHEK1ACHEMTNR1A
SCHEMBL12435882 0.82 PIM1 (0.43) PIM1CHEK1ACHE
SCHEMBL1559873 0.81 PIM1 (0.42) PIM1CHEK1ACHE
SCHEMBL2214981 0.80 PIM1 (0.37) PIM1CHEK1ACHEMTNR1A
SCHEMBL1559826 0.78 PIM1 (0.43) PIM1CHEK1ACHE
SCHEMBL1561134 0.77 PAICS (0.40) PIM1CHEK1ACHEMTNR1A
SCHEMBL17998124 0.72 PDPK1 (0.46) PDPK1CCNB2PRKCBCDK1LYN
SCHEMBL1559896 0.71 CHEK1 (0.46) PIM1CHEK1ACHE
SCHEMBL31370454 0.71 CPB2 (0.43) DYRK1APDPK1CCNB2PRKCBCDK1

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
US-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 US disclosed
WO-2009150381-A2 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2009-12-17 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B DYRK1A 3029/4885PIM1 2969/4885PDPK1 4255/4885

“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.