SCHEMBL521428

SCHEMBL521428

CN1CCCC1COc1cc(N)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.54
CHRNA3 P32297 4/20 0.54
CHRNB1 P11230 2/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
CHRNB3 Q05901 2/20 0.51

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
SCHEMBL4359511 1.00 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL15948903 0.85 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL13861974 0.85 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL7036352 0.84 CHRNB4 (0.73) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL20376164 0.84 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL15946938 0.82 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL3442231 0.82 CHRNB4 (0.55) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL4366935 0.81 UTS2R (0.54) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL4366928 0.81 UTS2R (0.54) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL4533897 0.80 DPP4 (0.50) CHRNB2CHRNA4

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 7 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
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS CHRNB4 4751/4885CHRNA3 4628/4885CHRNB1 4083/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 CHRNB4 4585/4885CHRNA3 4475/4885CHRNB1 4572/4885

“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.