SCHEMBL9918694

SCHEMBL9918694

CC1(C)OB(C2=CC=C(C(CC#N)C3CCCC3)C2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 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
SCHEMBL9918696 0.75 P2RX7 (0.34) P2RX7
SCHEMBL12066250 0.74 ESR2 (0.32) —
SCHEMBL9918689 0.72 — —
SCHEMBL9918690 0.67 — —
SCHEMBL3007188 0.66 JAK2 (0.46) —
SCHEMBL1612367 0.66 JAK2 (0.46) —
SCHEMBL1612365 0.66 JAK2 (0.46) —
SCHEMBL3707774 0.64 JAK2 (0.43) —
SCHEMBL15096653 0.61 LPL (0.45) —
SCHEMBL2574150 0.60 FFAR1 (0.41) —

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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 P2RX7 2858/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 P2RX7 2680/4885

“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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