SCHEMBL519347

SCHEMBL519347

COc1cc(N2CCCC(N3CCN(C(C)=O)CC3)C2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 2/20 0.44
PDE7A Q13946 1/20 0.42
ALK Q9UM73 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC4 P56524 1/20 0.40
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
RORC P51449 1/20 0.40
GAK O14976 1/20 0.40

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
SCHEMBL309877 0.87 EGFR (0.49) ALKALDH1A1CASP6GFER
SCHEMBL11333631 0.86 NPC1 (0.45) SHMT2ALKMEN1ALDH1A1KMT2A
SCHEMBL519637 0.85 NPC1 (0.42) ALKMEN1ALDH1A1KMT2AHRH3
SCHEMBL519768 0.84 NPC1 (0.49) PDE7AALKALDH1A1
SCHEMBL519864 0.84 ALDH1A1 (0.58) SHMT2PDE7AALKMEN1ALDH1A1
SCHEMBL520758 0.83 SIGMAR1 (0.54) MEN1ALDH1A1HPGDKMT2AHRH3
SCHEMBL521060 0.82 CHEK1 (0.44) ALKMEN1ALDH1A1HPGDKMT2A
SCHEMBL521798 0.82 MEN1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL2730690 0.82 CASP6 (0.54) PDE7AALKALDH1A1CASP6GFER
SCHEMBL2205957 0.81 CASP6 (0.59) ALKMEN1KMT2ACASP6GFER

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 SHMT2 2447/4885PDE7A 4294/4885ALK 2/4885

“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.