SCHEMBL519900

SCHEMBL519900

COc1cc(N2CCC(N3CCCOCC3)CC2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TTK P33981 2/20 0.46
JAK2 O60674 1/20 0.45
CHEK1 O14757 1/20 0.44
ALK Q9UM73 4/20 0.44
CAMK2D Q13557 1/20 0.43
LGMN Q99538 2/20 0.43
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
FLT3 P36888 1/20 0.42
MBTD1 Q05BQ5 1/20 0.42
AOC3 Q16853 2/20 0.41
GAK O14976 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL310378 0.95 CHEK1 (0.47) L3MBTL3L3MBTL1TTKJAK2CHEK1
SCHEMBL10206202 0.89 L3MBTL3 (0.53) L3MBTL3L3MBTL1ALKINSRIGF1R
SCHEMBL520836 0.89 L3MBTL1 (0.57) L3MBTL3L3MBTL1ALKINSRIGF1R
SCHEMBL520455 0.88 SMPD3 (0.44) TTKJAK2CHEK1ALKCAMK2D
SCHEMBL13981638 0.88 L3MBTL1 (0.55) L3MBTL3L3MBTL1MBTD1MEN1KMT2A
SCHEMBL309548 0.88 L3MBTL1 (0.55) L3MBTL3L3MBTL1MBTD1MEN1KMT2A
SCHEMBL521235 0.85 CHEK1 (0.44) JAK2CHEK1LGMNIGF1RAOC3
SCHEMBL1911911 0.85 L3MBTL3 (0.45) L3MBTL3L3MBTL1TTKALKCAMK2D
SCHEMBL310594 0.85 TTK (0.41) TTKJAK2CHEK1ALKCAMK2D
SCHEMBL2731784 0.85 CHEK1 (0.55) L3MBTL1JAK2CHEK1ALKLGMN

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 L3MBTL3 3289/4885L3MBTL1 2484/4885TTK 1107/4885

“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.