SCHEMBL9921746

SCHEMBL9921746

C[C@H](CC#N)CC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.42
CTSL P07711 8/20 0.37
CTSB P07858 7/20 0.37
CTSH P09668 5/20 0.36
CTSS P25774 2/20 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
SCHEMBL9921684 1.00 CTSK (0.42) CTSKCTSLCTSBCTSHCTSS
SCHEMBL9921685 0.91
SCHEMBL9921706 0.82 PIK3CD (0.36) CTSK
SCHEMBL9921960 0.80 CPN1 (0.42) CTSK
SCHEMBL6564282 0.79 CYP1A2 (0.34) CTSKCTSLCTSBCTSH
SCHEMBL9918284 0.79 CTSK (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL9918255 0.79 CTSK (0.41) CTSKCTSLCTSBCTSHCTSS
SCHEMBL9918254 0.78 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL9918186 0.78 CTSK (0.43) CTSKCTSLCTSBCTSHCTSS
SCHEMBL2347849 0.78 CYP1A2 (0.38) CTSKCTSLCTSBCTSH

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-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 (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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 CTSK 2774/4885CTSL 4699/4885CTSB 4222/4885

“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.