SCHEMBL519694

SCHEMBL519694

COc1cc(C2CCN(CCO)CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.52
SLC18A3 Q16572 1/20 0.51
HTR4 Q13639 5/20 0.47
DRD2 P14416 5/20 0.47
KCNH2 Q12809 3/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR1D P28221 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2B P41595 1/20 0.46
HTR3A P46098 1/20 0.46
CHEK1 O14757 1/20 0.46
EGFR P00533 1/20 0.44
TNK2 Q07912 1/20 0.43
SLC6A4 P31645 1/20 0.42

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
SCHEMBL310593 0.88 DRD2 (0.62) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL310239 0.87 QDPR (0.49) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL12705399 0.86 SLC18A3 (0.48) QDPRSLC18A3DRD2CHEK1EGFR
SCHEMBL20725583 0.85 QDPR (0.49) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL28137144 0.85 QDPR (0.47) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL520767 0.84 NPM1 (0.49) QDPRSLC18A3HTR4DRD2KCNH2
SCHEMBL520766 0.84 NPM1 (0.49) QDPRSLC18A3HTR4DRD2KCNH2
SCHEMBL28209999 0.84 QDPR (0.49) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL28869444 0.84 QDPR (0.48) QDPRHTR4DRD2KCNH2CHRM4
SCHEMBL2226718 0.84 CAMK2D (0.49) QDPRHTR4DRD2KCNH2CHRM4

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 QDPR 807/4885SLC18A3 4672/4885HTR4 2356/4885

“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.