SCHEMBL12463129

SCHEMBL12463129

CNC(=O)/C=C\C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
PARP1 P09874 2/20 0.30
PARP10 Q53GL7 2/20 0.30
PARP14 Q460N5 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
SCHEMBL179525 1.00 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4PARP1
SCHEMBL18042843 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18042846 0.80 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5574863 0.79 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4PARP1
SCHEMBL18594506 0.79 HDAC1 (0.37)
SCHEMBL15711294 0.79 HDAC1 (0.37)
SCHEMBL17120406 0.77 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13108774 0.77 EGFR (0.47)
SCHEMBL13108772 0.77 EGFR (0.47)
SCHEMBL23620515 0.77 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US claimed
EP-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed
WO-2011088405-A1 PLASMA MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2011-07-21 WO disclosed
WO-2008006097-A2 COVALENT MODIFICATION OF METAL SURFACES INTEZYNE TECHNOLOGIES LLC (US) 2008-01-10 WO 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-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK CHRNB2 4628/4885CHRNB4 3446/4885CHRNA3 4431/4885

“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.