SCHEMBL521292

SCHEMBL521292

COc1cc(N2CCC(N3CCC(F)(F)CC3)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.45
GAK O14976 2/20 0.41
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACVR1 Q04771 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
INSR P06213 3/20 0.38
IGF1R P08069 3/20 0.38
PDE7A Q13946 1/20 0.37
KHK P50053 2/20 0.37
BMPR1B O00238 1/20 0.37
PLK4 O00444 1/20 0.37
ERN1 O75460 1/20 0.37
STK10 O94804 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL10205071 0.87 L3MBTL3 (0.46) ALKL3MBTL3L3MBTL1ALDH1A1INSR
SCHEMBL520796 0.87 GAK (0.50) GAKL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2208499 0.86 L3MBTL3 (0.40) ALKGAKL3MBTL3L3MBTL1ACVR1
SCHEMBL13981451 0.86 L3MBTL3 (0.43) ALKL3MBTL3L3MBTL1ALDH1A1INSR
SCHEMBL10206202 0.86 L3MBTL3 (0.53) ALKL3MBTL3L3MBTL1ALDH1A1INSR
SCHEMBL520836 0.86 L3MBTL1 (0.57) ALKL3MBTL3L3MBTL1ALDH1A1MEN1
SCHEMBL309548 0.85 L3MBTL1 (0.55) L3MBTL3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13981638 0.85 L3MBTL1 (0.55) L3MBTL3L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL23606796 0.84 L3MBTL3 (0.46) ALKL3MBTL3L3MBTL1ALDH1A1MEN1
SCHEMBL3726389 0.84 LGMN (0.49) ALKGAKL3MBTL3L3MBTL1ALDH1A1

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 3 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

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 ALK 2/4885GAK 1976/4885L3MBTL3 3289/4885

“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.