SCHEMBL521335

SCHEMBL521335

COc1cc(N2CCC(C)(N3CCOCC3)CC2)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.49
LGMN Q99538 3/20 0.47
JAK2 O60674 1/20 0.45
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
THRB P10828 2/20 0.44
POLB P06746 1/20 0.44
HIF1A Q16665 1/20 0.40
KIT P10721 2/20 0.40
GAK O14976 1/20 0.40
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
INSR P06213 1/20 0.39

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
SCHEMBL223337 0.86 LGMN (0.61) CHEK1LGMNJAK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL375344 0.85 LGMN (0.59) CHEK1LGMNJAK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3402782 0.85 LGMN (0.59) CHEK1LGMNJAK2ALDH1A1MEN1
SCHEMBL521572 0.82 ALDH1A1 (0.64) CHEK1ALDH1A1MEN1KMT2AHPGD
SCHEMBL2731784 0.81 CHEK1 (0.55) CHEK1LGMNJAK2ALDH1A1MEN1
SCHEMBL28053894 0.80 CHEK1 (0.44) CHEK1LGMNJAK2ALDH1A1MEN1
SCHEMBL520465 0.80 LGMN (0.60) CHEK1LGMNJAK2ALDH1A1MEN1
SCHEMBL2955333 0.80 CHEK1 (0.46) CHEK1LGMNJAK2ALDH1A1MEN1
SCHEMBL14180536 0.79 CHEK1 (0.51) CHEK1LGMNJAK2MEN1KMT2A
SCHEMBL15358736 0.79 ALDH1A1 (0.53) CHEK1LGMNJAK2ALDH1A1MEN1

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 CHEK1 1646/4885LGMN 4884/4885JAK2 1/4885

“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.