SCHEMBL6520635

SCHEMBL6520635

Cc1ccnc(Nc2cc3ccn(C(C)C)c(=O)c3c(N[C@H]3CC[C@@H](O)C3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.58
TYK2 P29597 4/20 0.42
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
BRD4 O60885 1/20 0.36
ATAD2 Q6PL18 1/20 0.36
MAP3K12 Q12852 4/20 0.36
EGFR P00533 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL1159333 0.95 SYK (0.64) SYKTYK2BRD4ATAD2MAP3K12
SCHEMBL12797717 0.95 SYK (0.64) SYKTYK2BRD4ATAD2MAP3K12
SCHEMBL12797654 0.95 SYK (0.64) SYKTYK2BRD4ATAD2MAP3K12
SCHEMBL6526554 0.89 SYK (0.49) SYKTYK2BRD4ATAD2MAP3K12
SCHEMBL6526504 0.88 SYK (0.56) SYKTYK2CCNT1CDK9
SCHEMBL12797876 0.86 SYK (0.58) SYKMAP3K12KDM4EALDH1A1L3MBTL1
SCHEMBL6520001 0.86 SYK (0.58) SYKMAP3K12KDM4EALDH1A1L3MBTL1
SCHEMBL6524136 0.86 SYK (0.58) SYKMAP3K12KDM4EALDH1A1L3MBTL1
SCHEMBL1158903 0.86 SYK (0.58) SYKMAP3K12KDM4EALDH1A1L3MBTL1
SCHEMBL6525739 0.85 SYK (0.41) SYKTYK2CCNT1CDK9

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 5 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 claimed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053897-A1 COMPOUNDS AND COMPOSITIONS AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
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 1/4885TYK2 35/4885CCNT1 4036/4885

“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.