SCHEMBL520455

SCHEMBL520455

COc1cc(N2CCC(N3CCOCC3)C2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.44
CHEK1 O14757 1/20 0.43
LGMN Q99538 2/20 0.42
MAP4K4 O95819 1/20 0.42
JAK2 O60674 1/20 0.41
DPP4 P27487 6/20 0.41
TTK P33981 2/20 0.41
CAMK2D Q13557 1/20 0.41
GAK O14976 1/20 0.41
KIT P10721 1/20 0.41
PIK3CD O00329 1/20 0.41
ALK Q9UM73 2/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 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
SCHEMBL521060 0.93 CHEK1 (0.44) SMPD3CHEK1LGMNMAP4K4JAK2
SCHEMBL310378 0.93 CHEK1 (0.47) CHEK1LGMNJAK2TTKCAMK2D
SCHEMBL519900 0.88 L3MBTL3 (0.48) CHEK1LGMNJAK2TTKCAMK2D
SCHEMBL13177942 0.88 L3MBTL1 (0.45) DPP4GAKALKINSRIGF1R
SCHEMBL311196 0.87 SOS1 (0.42) CHEK1LGMNJAK2DPP4TTK
SCHEMBL12312243 0.87 SOS1 (0.42) CHEK1LGMNJAK2DPP4TTK
SCHEMBL13177796 0.86 ALK (0.44) DPP4CAMK2DGAKALKINSR
SCHEMBL310594 0.85 TTK (0.41) CHEK1LGMNJAK2TTKCAMK2D
SCHEMBL521235 0.82 CHEK1 (0.44) CHEK1LGMNJAK2GAKKIT
SCHEMBL1911911 0.82 L3MBTL3 (0.45) SMPD3LGMNTTKCAMK2DALK

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 6 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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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 SMPD3 2750/4885CHEK1 1646/4885LGMN 4884/4885

“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.