SCHEMBL521398

SCHEMBL521398

CC(Oc1cccc(N)c1)C1CCCN1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
TP53 P04637 1/20 0.37
GHSR Q92847 1/20 0.37

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
SCHEMBL7955169 0.83 SLC6A2 (0.43) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL11712029 0.83 NR4A1 (0.41) SLC6A3SLC6A2SLC6A4ALDH1A1CHRNB4
SCHEMBL6182634 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL6182630 0.82 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL6757125 0.82 CHRNB4 (0.50) SLC6A3SLC6A2SLC6A4ALDH1A1CHRNB4
SCHEMBL8507027 0.81 CHRNB2 (0.48) CHRNB4CHRNA3
SCHEMBL11716273 0.80 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL11712930 0.80 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4GHSR
SCHEMBL7406929 0.80 CHRNB4 (0.36) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3
SCHEMBL7411409 0.80 CHRNB4 (0.36) SLC6A3SLC6A2SLC6A4CHRNB4CHRNA3

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 5 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
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SLC6A3 2511/4885SLC6A2 3510/4885SLC6A4 1699/4885

“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.