SCHEMBL9004564

SCHEMBL9004564

[C-]#[N+]c1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(N3CCC[C@@H](NC(=O)c4ccc(C(C)(C)C)cc4)C3)nn12

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.62
LCK P06239 8/20 0.58
JAK3 P52333 3/20 0.58

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
SCHEMBL9005015 0.90 BTK (0.64) BTKLCKJAK3
SCHEMBL9005149 0.88 BTK (0.62) BTKLCKJAK3
SCHEMBL9069611 0.88 BTK (0.62) BTKLCKJAK3
SCHEMBL9004583 0.85 BTK (0.84) BTKLCKJAK3
SCHEMBL9004538 0.85 BTK (0.84) BTKLCKJAK3
SCHEMBL9005171 0.85 BTK (0.53) BTKLCKJAK3
SCHEMBL9005111 0.82 BTK (0.62) BTKLCKJAK3
SCHEMBL9005178 0.81 BTK (0.65) BTKLCKJAK3
SCHEMBL3261098 0.81 BTK (0.58) BTKLCKJAK3
SCHEMBL16763854 0.79 BTK (0.91) BTKLCKJAK3

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-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 US 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 BTK 1/4885LCK 5/4885JAK3 90/4885

“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.