SCHEMBL14213458

SCHEMBL14213458

CC(C)N1CCCC1c1ncno1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.34
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL14213454 1.00 PARP1 (0.34) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14213455 1.00 PARP1 (0.34) PARP1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14235486 0.79 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14236115 0.79 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14213447 0.75 SCD5 (0.36) PARP1CHRNB2CHRNA4
SCHEMBL14213444 0.75 SCD5 (0.36) PARP1CHRNB2CHRNA4
SCHEMBL14213445 0.75 SCD5 (0.36) PARP1CHRNB2CHRNA4
SCHEMBL12890751 0.72 CHRM2 (0.43)
SCHEMBL14213450 0.72 PARP1 (0.34) PARP1
SCHEMBL14213452 0.72 PARP1 (0.34) PARP1

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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 US disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 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-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 PARP1 1305/4885CHRNB2 4882/4885CHRNB4 4884/4885

“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.