SCHEMBL12849102

SCHEMBL12849102

C[C@@H](CO)Nc1nc(Nc2cnccn2)cc2ccn(CCN)c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.54
BTK Q06187 2/20 0.35
LYN P07948 1/20 0.35
SRC P12931 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GRM2 Q14416 3/20 0.34
CA2 P00918 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CDK2 P24941 2/20 0.33
KDR P35968 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
CCNT1 O60563 1/20 0.33
CCND1 P24385 1/20 0.33
CCNH P51946 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL1158880 0.93 SYK (0.54) SYKBTKLYNSRCJAK2
SCHEMBL6520479 0.93 SYK (0.63) SYKBTKLYNSRCJAK2
SCHEMBL1158735 0.90 SYK (0.54) SYKBTKLYNSRCJAK2
SCHEMBL1159003 0.90 SYK (0.54) SYKBTKLYNSRCJAK2
SCHEMBL1160147 0.89 SYK (0.52) SYKBTKLYNSRCJAK2
SCHEMBL1159276 0.88 SYK (0.54) SYKBTKLYNSRCJAK2
SCHEMBL1159729 0.87 SYK (0.50) SYKGRM2
SCHEMBL1159369 0.85 SYK (0.51) SYKBTKLYNSRCJAK2
SCHEMBL1158798 0.85 SYK (0.73) SYKBTKLYNSRCJAK2
SCHEMBL12795891 0.84 SYK (0.49) SYKBTKLYNSRCJAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
WO-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 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-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS SYK, BTK, LYN SYK 1/4885BTK 2/4885LYN 3/4885

“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.