SCHEMBL25466268

SCHEMBL25466268

BN1CCCC(n2c(=O)[nH]c3c(/N=C/N(C)C)nccc32)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ BTK Q06187 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 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
SCHEMBL18285530 0.86 BTK (0.35) JAK2JAK3JAK1BTK
SCHEMBL18285529 0.86 BTK (0.35) JAK2JAK3JAK1BTK
SCHEMBL28490359 0.86 BTK (0.35) JAK2JAK3JAK1BTK
SCHEMBL18285525 0.86 BTK (0.35) JAK2JAK3JAK1BTK
SCHEMBL18285718 0.82 HCAR1 (0.41) JAK2JAK1BTK
SCHEMBL30111817 0.82 HCAR1 (0.41) JAK2JAK1BTK
SCHEMBL18289981 0.82 HCAR1 (0.41) JAK2JAK1BTK
SCHEMBL18818280 0.82 HCAR1 (0.41) JAK2JAK1BTK
SCHEMBL18818279 0.82 HCAR1 (0.41) JAK2JAK1BTK
SCHEMBL22902683 0.72 JAK1 (0.38) JAK2JAK3JAK1BTK

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-20230151012-A1 TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2023-05-18 — — 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-20230151012-A1 TYROSINE KINASE INHIBITORS BTK, LYN, SYK JAK2 6/4885JAK3 19/4885JAK1 9/4885

“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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