SCHEMBL521397

SCHEMBL521397

CN1CCCC1COc1cccc(N)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.72
CHRNA3 P32297 5/20 0.72
CHRNB2 P17787 3/20 0.72
CHRNB1 P11230 1/20 0.72
CHRNB3 Q05901 1/20 0.72
CHRNA4 P43681 2/20 0.71

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
SCHEMBL5449139 0.87 CHRNB4 (0.58) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6586885 0.85 CHRNB1 (1.00) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
Hydrochloric Acid SCHEMBL6588461 0.84 CHRNB1 (0.98) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6192460 0.84 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6192462 0.84 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL3598905 0.83 CHRNB4 (0.69) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL9238637 0.83 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL9238640 0.83 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL9242124 0.83 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL9243817 0.83 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CHRNB4 4585/4885CHRNA3 4475/4885CHRNB2 4788/4885

“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.