SCHEMBL521810

SCHEMBL521810

COc1cc(C2CCN(C(C)C3CCN3)CC2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.43
PDE4B Q07343 10/20 0.36
CHEK1 O14757 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIF1A Q16665 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
INSR P06213 1/20 0.34
NPM1 P06748 1/20 0.34
ALK Q9UM73 1/20 0.34

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
SCHEMBL2204133 0.84 QDPR (0.49) QDPRPDE4BCHEK1ALDH1A1CYP3A4
SCHEMBL520062 0.78 QDPR (0.48) QDPRPDE4B
SCHEMBL29517150 0.77 QDPR (0.68) QDPRPDE4BCHEK1ALDH1A1CYP3A4
SCHEMBL520554 0.77 QDPR (0.68) QDPRPDE4BCHEK1ALDH1A1CYP3A4
SCHEMBL20225757 0.77 ALDH1A1 (0.53) QDPRPDE4BALDH1A1CYP3A4TSHR
SCHEMBL520767 0.76 NPM1 (0.49) QDPRPDE4BNPM1ALK
SCHEMBL310493 0.76 QDPR (0.46) QDPRNPM1ALK
SCHEMBL520766 0.76 NPM1 (0.49) QDPRPDE4BNPM1ALK
SCHEMBL310290 0.74 HTR2C (0.55) QDPRPDE4BCHEK1ALDH1A1CYP3A4
SCHEMBL17076795 0.74 QDPR (0.55) QDPRPDE4B

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 807/4885PDE4B 2705/4885CHEK1 1646/4885

“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.