SCHEMBL521513

SCHEMBL521513

COc1cc(N2CCN(c3ccccn3)CC2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.52
BACE1 P56817 2/20 0.52
ALDH1A1 P00352 11/20 0.51
KDM4E B2RXH2 8/20 0.51
HSD17B10 Q99714 5/20 0.51
HPGD P15428 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
TSHR P16473 2/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SUV39H2 Q9H5I1 1/20 0.48
KHK P50053 1/20 0.48
CYP1A2 P05177 1/20 0.48
BCHE P06276 1/20 0.48
USP2 O75604 1/20 0.48

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
SCHEMBL15358736 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL2821837 0.82 MAPT (0.48) ACHEBACE1ALDH1A1KDM4EHSD17B10
SCHEMBL27741146 0.82 ALDH1A1 (0.57) ACHEBACE1ALDH1A1KDM4EHSD17B10
SCHEMBL1989712 0.80 POLB (0.47) ACHEBACE1ALDH1A1KDM4EMEN1
SCHEMBL21682910 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDCYP2C9
SCHEMBL19381351 0.79 USP2 (0.51) ACHEBACE1ALDH1A1KDM4EHSD17B10
SCHEMBL11066512 0.77 MAPT (0.69) ALDH1A1KDM4EHSD17B10HPGDCYP2C9
SCHEMBL438444 0.77 MAPT (0.63) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL29446146 0.77 MAPT (0.63) ALDH1A1KDM4EHSD17B10TSHRMEN1
SCHEMBL2974453 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10TSHRMEN1

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 ACHE 4870/4885BACE1 4411/4885ALDH1A1 779/4885

“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.