SCHEMBL520871

SCHEMBL520871

NC(=O)CN1CC(c2ccc(N)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.37
RAB9A P51151 1/20 0.37
GRIN2B Q13224 1/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
YWHAG P61981 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 2/20 0.35
NR1I2 O75469 1/20 0.35
RORC P51449 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
PTK2 Q05397 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL519477 0.85 SLC18A3 (0.48) SLC18A3KDM4EJAK2PTK2SIGMAR1
SCHEMBL15513886 0.74 SLC18A3 (0.42) SLC18A3RAB9AMAPTGFERALDH1A1
SCHEMBL1546844 0.72 CHRNB2 (0.43) SLC18A3MEN1KMT2ABLMALDH1A1
SCHEMBL24652524 0.71 ALDH1A1 (0.57) SLC18A3RAB9AMAPTKMT2AALDH1A1
SCHEMBL3165125 0.71 ALDH1A1 (0.57) SLC18A3RAB9AMAPTKMT2AALDH1A1
SCHEMBL15652766 0.71 SLC18A3 (0.48) SLC18A3JAK2SIGMAR1
SCHEMBL1546169 0.70 DRD2 (0.50)
SCHEMBL1813682 0.70 MEN1 (0.49) SLC18A3MEN1KMT2AJAK2PTK2
SCHEMBL6698451 0.70 MAPT (0.59) RAB9AKDM4ECYP2C19MEN1MAPT
SCHEMBL15649969 0.70 SLC18A3 (0.47) SLC18A3SIGMAR1

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 SLC18A3 4672/4885RAB9A 3888/4885GRIN2B 3303/4885

“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.