SCHEMBL6526554

SCHEMBL6526554

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.49
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
TYK2 P29597 3/20 0.34
MAP3K12 Q12852 5/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PDE5A O76074 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
SCHEMBL6520635 0.89 SYK (0.58) SYKNOS3NOS1NOS2TYK2
SCHEMBL6525759 0.89 SYK (0.58) SYKNOS3NOS1NOS2MAP3K12
SCHEMBL6525708 0.89 SYK (0.48) SYKTYK2
SCHEMBL6521653 0.88 SYK (0.50) SYKNOS3NOS1NOS2MAP3K12
SCHEMBL6526540 0.88 SYK (0.50) SYKNOS3NOS1NOS2MAP3K12
SCHEMBL6522244 0.88 SYK (0.50) SYKNOS3NOS1NOS2MAP3K12
SCHEMBL6524282 0.88 SYK (0.50) SYKNOS3NOS1NOS2MAP3K12
SCHEMBL12797654 0.87 SYK (0.64) SYKNOS3NOS1NOS2TYK2
SCHEMBL1159333 0.87 SYK (0.64) SYKNOS3NOS1NOS2TYK2
SCHEMBL12797717 0.87 SYK (0.64) SYKNOS3NOS1NOS2TYK2

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 1/4885NOS3 703/4885NOS1 737/4885

“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.