SCHEMBL23081063

SCHEMBL23081063

Cn1cc(Nc2nc(N3C4CCC(NC(=O)c5cc6c(n5C)CC(C)(C)C6)C3CC4)nnc2C(N)=O)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ CDK19 Q9BWU1 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ BTK Q06187 5/20 0.31
▸ JAK3 P52333 2/20 0.31
▸ LCK P06239 1/20 0.31
▸ JAK1 P23458 2/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ TYK2 P29597 1/20 0.30

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
SCHEMBL23081065 0.89 JAK3 (0.39) SYKMAP4K1KDRAURKBCDK19
SCHEMBL23080773 0.84 JAK3 (0.37) SYKBTKJAK3LCK
SCHEMBL23080916 0.78 MAP4K1 (0.42) MAP4K1BTKJAK3LCK
SCHEMBL18283566 0.76 JAK3 (0.49) BTKJAK3LCK
SCHEMBL23081064 0.72 BTK (0.40) SYKMAP4K1BTKJAK3LCK
SCHEMBL23080657 0.69 JAK3 (0.47) BTKJAK3LCK
SCHEMBL20539913 0.68 JAK3 (0.49) BTKJAK3LCK
SCHEMBL20540647 0.68 JAK3 (0.49) BTKJAK3LCK
SCHEMBL20540720 0.68 JAK3 (0.49) BTKJAK3LCK
SCHEMBL20540573 0.68 JAK3 (0.49) BTKJAK3LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SYK 4/4885MAP4K1 413/4885KDR 1732/4885

“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.

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