SCHEMBL522383

SCHEMBL522383

COc1cc([C@H]2CC[C@H](N3CCOCC3)CC2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
QDPR P09417 2/20 0.42
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TRPV6 Q9H1D0 3/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL522340 1.00 IRAK4 (0.44) IRAK4HRH3HTR1AADRA1DADRA1A
SCHEMBL522339 1.00 IRAK4 (0.44) IRAK4HRH3HTR1AADRA1DADRA1A
SCHEMBL18350611 0.86 QDPR (0.52) HRH3HTR1AADRA1DADRA1AADRA1B
SCHEMBL3314819 0.83 ALDH1A1 (0.46) CYP3A4QDPRALDH1A1
SCHEMBL17197381 0.83 QDPR (0.46) QDPRABL1METSRCKDR
SCHEMBL20225757 0.82 ALDH1A1 (0.53) CYP3A4QDPRALDH1A1
SCHEMBL12856149 0.81 ALDH1A1 (0.46) IRAK4HRH3HTR1AADRA1DADRA1A
SCHEMBL310378 0.80 CHEK1 (0.47) KITKDRFLT3
SCHEMBL14180555 0.79 IRAK4 (0.48) IRAK4
SCHEMBL13178050 0.79 QDPR (0.53) QDPR

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 IRAK4 134/4885HRH3 1453/4885HTR1A 3342/4885

“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.